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

C15H11N5 — CID 63338477

IUPAC2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2cc(-c3ccccc3N)cn2)c1
InChIInChI=1S/C15H11N5/c16-8-11-5-6-18-15(7-11)20-10-12(9-19-20)13-3-1-2-4-14(13)17/h1-7,9-10H,17H2
InChIKeySJUIWRWTECCWHY-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.39
Rot. Bonds2

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

2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 63338477) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID63338477
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2cc(-c3ccccc3N)cn2)c1
InChIInChI=1S/C15H11N5/c16-8-11-5-6-18-15(7-11)20-10-12(9-19-20)13-3-1-2-4-14(13)17/h1-7,9-10H,17H2
InChIKeySJUIWRWTECCWHY-UHFFFAOYSA-N
XLogP2.39
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.39
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-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile (CID 63338477) is 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-n2cc(-c3ccccc3N)cn2)c1.
What is the InChIKey of 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is SJUIWRWTECCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-8-11-5-6-18-15(7-11)20-10-12(9-19-20)13-3-1-2-4-14(13)17/h1-7,9-10H,17H2.
What are the key properties of 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 63338477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).