2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile

C19H18N4O2 — CID 135355129

IUPAC2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCC(C)Oc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2C#N)c1
InChIInChI=1S/C19H18N4O2/c1-13(2)25-18-8-19(24)22(3)12-16(18)15-10-21-23(11-15)17-7-5-4-6-14(17)9-20/h4-8,10-13H,1-3H3
InChIKeyOGHRBAWWRPDFLK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile

2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile (PubChem CID 135355129) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile
PubChem CID135355129
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCC(C)Oc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2C#N)c1
InChIInChI=1S/C19H18N4O2/c1-13(2)25-18-8-19(24)22(3)12-16(18)15-10-21-23(11-15)17-7-5-4-6-14(17)9-20/h4-8,10-13H,1-3H3
InChIKeyOGHRBAWWRPDFLK-UHFFFAOYSA-N
XLogP2.90
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one
CID 135355496
2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 155295439
2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 135355198
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380
2-[4-[1-methyl-4-[6-(2-methylpropoxy)-3-pyridinyl]-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
CID 135355387
2-chloro-6-[4-[1-methyl-4-[2-(methylamino)pyrimidin-5-yl]-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 135355527
1-(2-cyanophenyl)pyrazole-4-carboxylic acid
CID 53415450
4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
CID 135355125
2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
CID 135355426
2-[4-[7,8-dimethoxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]pyrazol-1-yl]benzonitrile
CID 164603788
2-chloro-6-[4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 135355403
1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
CID 135355514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile (CID 135355129) is 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile is CC(C)Oc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2C#N)c1.
What is the InChIKey of 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The InChIKey is OGHRBAWWRPDFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(2)25-18-8-19(24)22(3)12-16(18)15-10-21-23(11-15)17-7-5-4-6-14(17)9-20/h4-8,10-13H,1-3H3.
What are the key properties of 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile?
2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).