6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile

C9H7N5 — CID 64589202

IUPAC6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ccc(N)n2)n1
InChIInChI=1S/C9H7N5/c10-6-7-2-1-3-9(12-7)14-5-4-8(11)13-14/h1-5H,(H2,11,13)
InChIKeyODBLRKQLMFKELD-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.72
Rot. Bonds1

About 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile

6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile (PubChem CID 64589202) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile
PubChem CID64589202
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ccc(N)n2)n1
InChIInChI=1S/C9H7N5/c10-6-7-2-1-3-9(12-7)14-5-4-8(11)13-14/h1-5H,(H2,11,13)
InChIKeyODBLRKQLMFKELD-UHFFFAOYSA-N
XLogP0.72
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile (CID 64589202) is 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile is N#Cc1cccc(-n2ccc(N)n2)n1.
What is the InChIKey of 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is ODBLRKQLMFKELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-6-7-2-1-3-9(12-7)14-5-4-8(11)13-14/h1-5H,(H2,11,13).
What are the key properties of 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile?
6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64589202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).