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

C12H12N4O — CID 134531443

IUPAC6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc(-n2cc(CCO)cn2)ncc1C#N
InChIInChI=1S/C12H12N4O/c1-9-4-12(14-7-11(9)5-13)16-8-10(2-3-17)6-15-16/h4,6-8,17H,2-3H2,1H3
InChIKeyRBIISGZNVBJWNQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.98
Rot. Bonds3

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

6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile (PubChem CID 134531443) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
PubChem CID134531443
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc(-n2cc(CCO)cn2)ncc1C#N
InChIInChI=1S/C12H12N4O/c1-9-4-12(14-7-11(9)5-13)16-8-10(2-3-17)6-15-16/h4,6-8,17H,2-3H2,1H3
InChIKeyRBIISGZNVBJWNQ-UHFFFAOYSA-N
XLogP0.98
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile (CID 134531443) is 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile is Cc1cc(-n2cc(CCO)cn2)ncc1C#N.
What is the InChIKey of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile?
The InChIKey is RBIISGZNVBJWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-4-12(14-7-11(9)5-13)16-8-10(2-3-17)6-15-16/h4,6-8,17H,2-3H2,1H3.
What are the key properties of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile?
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 134531443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).