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

C12H12N4O2 — CID 134524112

IUPAC6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-n2cc(CCO)cn2)ncc1C#N
InChIInChI=1S/C12H12N4O2/c1-18-11-4-12(14-7-10(11)5-13)16-8-9(2-3-17)6-15-16/h4,6-8,17H,2-3H2,1H3
InChIKeyKTBWLZKDFRGZBQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.68
Rot. Bonds4

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

6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile (PubChem CID 134524112) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile
PubChem CID134524112
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-n2cc(CCO)cn2)ncc1C#N
InChIInChI=1S/C12H12N4O2/c1-18-11-4-12(14-7-10(11)5-13)16-8-9(2-3-17)6-15-16/h4,6-8,17H,2-3H2,1H3
InChIKeyKTBWLZKDFRGZBQ-UHFFFAOYSA-N
XLogP0.68
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile (CID 134524112) is 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile is COc1cc(-n2cc(CCO)cn2)ncc1C#N.
What is the InChIKey of 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile?
The InChIKey is KTBWLZKDFRGZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-11-4-12(14-7-10(11)5-13)16-8-9(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-methoxypyridine-3-carbonitrile?
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 134524112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).