6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile

C12H12N4 — CID 64596121

IUPAC6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile
SMILESCC(C)c1ccn(-c2cccc(C#N)n2)n1
InChIInChI=1S/C12H12N4/c1-9(2)11-6-7-16(15-11)12-5-3-4-10(8-13)14-12/h3-7,9H,1-2H3
InChIKeyLKQCKDMDCHRBRY-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.26
Rot. Bonds2

About 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile

6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile (PubChem CID 64596121) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile
PubChem CID64596121
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile
SMILESCC(C)c1ccn(-c2cccc(C#N)n2)n1
InChIInChI=1S/C12H12N4/c1-9(2)11-6-7-16(15-11)12-5-3-4-10(8-13)14-12/h3-7,9H,1-2H3
InChIKeyLKQCKDMDCHRBRY-UHFFFAOYSA-N
XLogP2.26
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile (CID 64596121) is 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile is CC(C)c1ccn(-c2cccc(C#N)n2)n1.
What is the InChIKey of 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is LKQCKDMDCHRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9(2)11-6-7-16(15-11)12-5-3-4-10(8-13)14-12/h3-7,9H,1-2H3.
What are the key properties of 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile?
6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64596121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).