2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile

C16H13N5 — CID 63338638

IUPAC2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-n2cc(-c3cccc(N)c3)cn2)n1
InChIInChI=1S/C16H13N5/c1-11-5-6-13(8-17)16(20-11)21-10-14(9-19-21)12-3-2-4-15(18)7-12/h2-7,9-10H,18H2,1H3
InChIKeyMZDQZHGUKQJSQL-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.70
Rot. Bonds2

About 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 63338638) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID63338638
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-n2cc(-c3cccc(N)c3)cn2)n1
InChIInChI=1S/C16H13N5/c1-11-5-6-13(8-17)16(20-11)21-10-14(9-19-21)12-3-2-4-15(18)7-12/h2-7,9-10H,18H2,1H3
InChIKeyMZDQZHGUKQJSQL-UHFFFAOYSA-N
XLogP2.70
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.70
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]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile (CID 63338638) is 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(-n2cc(-c3cccc(N)c3)cn2)n1.
What is the InChIKey of 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is MZDQZHGUKQJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11-5-6-13(8-17)16(20-11)21-10-14(9-19-21)12-3-2-4-15(18)7-12/h2-7,9-10H,18H2,1H3.
What are the key properties of 2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.70, 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]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 63338638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).