4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H18N4O2 — CID 168586475

IUPAC4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1Cn1cccn1
InChIInChI=1S/C19H18N4O2/c1-3-25-18-6-5-14(10-15(18)12-23-8-4-7-21-23)16-9-13(2)22-19(24)17(16)11-20/h4-10H,3,12H2,1-2H3,(H,22,24)
InChIKeyJNWDXAPOZLWVHA-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds5

About 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586475) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586475
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1Cn1cccn1
InChIInChI=1S/C19H18N4O2/c1-3-25-18-6-5-14(10-15(18)12-23-8-4-7-21-23)16-9-13(2)22-19(24)17(16)11-20/h4-10H,3,12H2,1-2H3,(H,22,24)
InChIKeyJNWDXAPOZLWVHA-UHFFFAOYSA-N
XLogP2.87
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylphenoxy)-3-iodo-6-methyl-5-(pyrazol-1-ylmethyl)-1H-pyridin-2-one
CID 44596459
((S)-4-(4-Methyl-1H-pyrazol-1-yl)-2-oxo-6-(4-(4,4,4-trifluorobutoxy)phenyl)-6-(trifluoromethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 118362595
N-[(2-Ethoxyphenyl)methyl]-3-(1H-pyrazol-1-YL)propanamide
CID 16026464
2-[1-(2-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 24817819
N-(2-Cyanophenyl)-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 16010634
N-[(2-Ethoxyphenyl)methyl]-3-(3-methyl-1H-pyrazol-1-YL)butanamide
CID 16026657
1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 17477341
2-[1-(4-methoxy-3-methylbenzyl)-3-oxo-2-piperazinyl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 24791791
N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 45167348
N-(3-Cyanophenyl)-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 45489301
N-(1-pyrazol-1-ylpropan-2-yl)-2H-chromene-3-carboxamide
CID 45818974
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46979405

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586475) is 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCOc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1Cn1cccn1.
What is the InChIKey of 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JNWDXAPOZLWVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-25-18-6-5-14(10-15(18)12-23-8-4-7-21-23)16-9-13(2)22-19(24)17(16)11-20/h4-10H,3,12H2,1-2H3,(H,22,24).
What are the key properties of 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).