1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile

C20H19N3O — CID 94962126

IUPAC1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
SMILESCOc1cccc(-n2nc(C#N)cc2-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H19N3O/c1-13-8-14(2)20(15(3)9-13)19-10-16(12-21)22-23(19)17-6-5-7-18(11-17)24-4/h5-11H,1-4H3
InChIKeyURJJIECAGPHAHY-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.34
Rot. Bonds3

About 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile

1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile (PubChem CID 94962126) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
PubChem CID94962126
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
SMILESCOc1cccc(-n2nc(C#N)cc2-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H19N3O/c1-13-8-14(2)20(15(3)9-13)19-10-16(12-21)22-23(19)17-6-5-7-18(11-17)24-4/h5-11H,1-4H3
InChIKeyURJJIECAGPHAHY-UHFFFAOYSA-N
XLogP4.34
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220284
1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220283
5-(4-tert-butylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 94962087
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
2-(3-methoxyphenyl)pyrazole-3-carbonitrile
CID 105452002
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
1-(3-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carbonitrile
CID 94962258
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
1-(3-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117384
5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220295

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile (CID 94962126) is 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile is COc1cccc(-n2nc(C#N)cc2-c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile?
The InChIKey is URJJIECAGPHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-8-14(2)20(15(3)9-13)19-10-16(12-21)22-23(19)17-6-5-7-18(11-17)24-4/h5-11H,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile?
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 94962126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).