UQS

N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine

Created:	2020-05-27
Last modified:	2020-06-10

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3 entries where UQS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of UQS

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Chemical Component Summary
Name	N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-[(2-fluorophenyl)methyl]-1~{H}-pyrazol-4-amine
Formula	C₁₀ H₁₀ F N₃
Molecular Weight	191.205
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2ncc(NCc1ccccc1F)c2
SMILES	CACTVS	3.385	Fc1ccccc1CNc2c[nH]nc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNc2c[nH]nc2)F
Canonical SMILES	CACTVS	3.385	Fc1ccccc1CNc2c[nH]nc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNc2c[nH]nc2)F
InChI	InChI	1.03	InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)
InChIKey	InChI	1.03	PDSIYANAENEXNZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	43539927

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