5-pyrazol-1-ylpyridine-2-carbonitrile

C9H6N4 — CID 115487796

IUPAC5-pyrazol-1-ylpyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2cccn2)cn1
InChIInChI=1S/C9H6N4/c10-6-8-2-3-9(7-11-8)13-5-1-4-12-13/h1-5,7H
InChIKeyLEGCKEZFARZHDP-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.14
Rot. Bonds1

About 5-pyrazol-1-ylpyridine-2-carbonitrile

5-pyrazol-1-ylpyridine-2-carbonitrile (PubChem CID 115487796) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-pyrazol-1-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-pyrazol-1-ylpyridine-2-carbonitrile
PubChem CID115487796
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name5-pyrazol-1-ylpyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2cccn2)cn1
InChIInChI=1S/C9H6N4/c10-6-8-2-3-9(7-11-8)13-5-1-4-12-13/h1-5,7H
InChIKeyLEGCKEZFARZHDP-UHFFFAOYSA-N
XLogP1.14
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile
CID 115487818
2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781
1-(5-pyrazol-1-yl-2-pyridinyl)ethanol
CID 83132104
1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 72898522
4-[3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
CID 156860318
5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile
CID 115487799
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 47053874
1-(3-deuteriophenyl)pyrazole
CID 59806816
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
CID 156860223
5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146078102

Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-ylpyridine-2-carbonitrile?
The IUPAC name of 5-pyrazol-1-ylpyridine-2-carbonitrile (CID 115487796) is 5-pyrazol-1-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-pyrazol-1-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-pyrazol-1-ylpyridine-2-carbonitrile is N#Cc1ccc(-n2cccn2)cn1.
What is the InChIKey of 5-pyrazol-1-ylpyridine-2-carbonitrile?
The InChIKey is LEGCKEZFARZHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-6-8-2-3-9(7-11-8)13-5-1-4-12-13/h1-5,7H.
What are the key properties of 5-pyrazol-1-ylpyridine-2-carbonitrile?
5-pyrazol-1-ylpyridine-2-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-ylpyridine-2-carbonitrile is sourced from PubChem (CID 115487796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).