2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile

C12H11ClN4 — CID 61491902

IUPAC2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile
SMILESN#Cc1ccc(NCCn2cccn2)cc1Cl
InChIInChI=1S/C12H11ClN4/c13-12-8-11(3-2-10(12)9-14)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7H2
InChIKeyZRNSPNAWYBIBHM-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.52
Rot. Bonds4

About 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile

2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile (PubChem CID 61491902) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile
PubChem CID61491902
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile
SMILESN#Cc1ccc(NCCn2cccn2)cc1Cl
InChIInChI=1S/C12H11ClN4/c13-12-8-11(3-2-10(12)9-14)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7H2
InChIKeyZRNSPNAWYBIBHM-UHFFFAOYSA-N
XLogP2.52
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(2-pyrazol-1-ylethyl)aniline
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4-[2-(4-aminopyrazol-1-yl)ethylamino]-2-chlorobenzonitrile
CID 115320073
2-chloro-4-(pentylamino)benzonitrile
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5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
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4-(3-aminopropylamino)-2-chlorobenzonitrile
CID 62944504
2-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
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2-chloro-4-[(1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 82865972
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-5-amine
CID 54962038
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
2-chloro-4-(4,4,4-trifluorobutylamino)benzonitrile
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2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile?
The IUPAC name of 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile (CID 61491902) is 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile is N#Cc1ccc(NCCn2cccn2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile?
The InChIKey is ZRNSPNAWYBIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c13-12-8-11(3-2-10(12)9-14)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7H2.
What are the key properties of 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile?
2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile has a molecular weight of 246.70 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile is sourced from PubChem (CID 61491902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).