2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile

C15H10ClN5 — CID 107061498

IUPAC2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2cc(-c3cccc(N)c3)cn2)c1Cl
InChIInChI=1S/C15H10ClN5/c16-14-11(7-17)4-5-19-15(14)21-9-12(8-20-21)10-2-1-3-13(18)6-10/h1-6,8-9H,18H2
InChIKeyJSJZRKFMMKZSAA-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.04
Rot. Bonds2

About 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile

2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile (PubChem CID 107061498) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile
PubChem CID107061498
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2cc(-c3cccc(N)c3)cn2)c1Cl
InChIInChI=1S/C15H10ClN5/c16-14-11(7-17)4-5-19-15(14)21-9-12(8-20-21)10-2-1-3-13(18)6-10/h1-6,8-9H,18H2
InChIKeyJSJZRKFMMKZSAA-UHFFFAOYSA-N
XLogP3.04
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile (CID 107061498) is 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(-n2cc(-c3cccc(N)c3)cn2)c1Cl.
What is the InChIKey of 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile?
The InChIKey is JSJZRKFMMKZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-14-11(7-17)4-5-19-15(14)21-9-12(8-20-21)10-2-1-3-13(18)6-10/h1-6,8-9H,18H2.
What are the key properties of 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile?
2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile has a molecular weight of 295.73 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)pyrazol-1-yl]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).