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

C16H13N5 — CID 63883306

IUPAC4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2cc(-c3ccccc3N)cn2)ccn1
InChIInChI=1S/C16H13N5/c17-8-14-7-12(5-6-19-14)10-21-11-13(9-20-21)15-3-1-2-4-16(15)18/h1-7,9,11H,10,18H2
InChIKeyUKLVVZYNJMMQRW-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.45
Rot. Bonds3

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

4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 63883306) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID63883306
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2cc(-c3ccccc3N)cn2)ccn1
InChIInChI=1S/C16H13N5/c17-8-14-7-12(5-6-19-14)10-21-11-13(9-20-21)15-3-1-2-4-16(15)18/h1-7,9,11H,10,18H2
InChIKeyUKLVVZYNJMMQRW-UHFFFAOYSA-N
XLogP2.45
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.45
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 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile (CID 63883306) is 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1cc(Cn2cc(-c3ccccc3N)cn2)ccn1.
What is the InChIKey of 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is UKLVVZYNJMMQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-8-14-7-12(5-6-19-14)10-21-11-13(9-20-21)15-3-1-2-4-16(15)18/h1-7,9,11H,10,18H2.
What are the key properties of 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).