5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile

C11H7N5 — CID 24873793

IUPAC5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C11H7N5/c12-5-8-1-3-10(4-2-8)16-11(14)9(6-13)7-15-16/h1-4,7H,14H2
InChIKeyKWKMVMRUCNTSRC-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.20
Rot. Bonds1

About 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile

5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile (PubChem CID 24873793) has the molecular formula C11H7N5 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
PubChem CID24873793
Molecular FormulaC11H7N5
Molecular Weight209.21 g/mol
Exact Mass209.07
IUPAC Name5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C11H7N5/c12-5-8-1-3-10(4-2-8)16-11(14)9(6-13)7-15-16/h1-4,7H,14H2
InChIKeyKWKMVMRUCNTSRC-UHFFFAOYSA-N
XLogP1.20
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
1-Phenylpyrazol-5-ylamine
CID 70006
5-amino-1-benzyl-1H-pyrazole-4-carbonitrile
CID 660147
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 688685
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile (CID 24873793) is 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile is N#Cc1ccc(-n2ncc(C#N)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
The InChIKey is KWKMVMRUCNTSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5/c12-5-8-1-3-10(4-2-8)16-11(14)9(6-13)7-15-16/h1-4,7H,14H2.
What are the key properties of 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile has a molecular weight of 209.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 24873793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).