2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile

C12H12N4O — CID 175875554

IUPAC2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile
SMILESCC(C)(O)c1ccn(-c2ncccc2C#N)n1
InChIInChI=1S/C12H12N4O/c1-12(2,17)10-5-7-16(15-10)11-9(8-13)4-3-6-14-11/h3-7,17H,1-2H3
InChIKeyOXOVBNBRLQPMIF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.37
Rot. Bonds2

About 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile

2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 175875554) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID175875554
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile
SMILESCC(C)(O)c1ccn(-c2ncccc2C#N)n1
InChIInChI=1S/C12H12N4O/c1-12(2,17)10-5-7-16(15-10)11-9(8-13)4-3-6-14-11/h3-7,17H,1-2H3
InChIKeyOXOVBNBRLQPMIF-UHFFFAOYSA-N
XLogP1.37
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile (CID 175875554) is 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile is CC(C)(O)c1ccn(-c2ncccc2C#N)n1.
What is the InChIKey of 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is OXOVBNBRLQPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-12(2,17)10-5-7-16(15-10)11-9(8-13)4-3-6-14-11/h3-7,17H,1-2H3.
What are the key properties of 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile?
2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 175875554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).