4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile

C24H17N3O2 — CID 154708815

IUPAC4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C24H17N3O2/c1-29-20-14-12-18(13-15-20)24(28)22-21(16-25)27(19-10-6-3-7-11-19)26-23(22)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyLRDRBTNXKGHUPP-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.65
Rot. Bonds5

About 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile

4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile (PubChem CID 154708815) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
PubChem CID154708815
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C24H17N3O2/c1-29-20-14-12-18(13-15-20)24(28)22-21(16-25)27(19-10-6-3-7-11-19)26-23(22)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyLRDRBTNXKGHUPP-UHFFFAOYSA-N
XLogP4.65
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 71377669
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
4-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
CID 172842617
dimethyl 3-[3-(2-cyanophenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388401
methyl 3-(4-cyanophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
CID 135064086
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile?
The IUPAC name of 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile (CID 154708815) is 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile?
The canonical SMILES for 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile is COc1ccc(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile?
The InChIKey is LRDRBTNXKGHUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-29-20-14-12-18(13-15-20)24(28)22-21(16-25)27(19-10-6-3-7-11-19)26-23(22)17-8-4-2-5-9-17/h2-15H,1H3.
What are the key properties of 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile?
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile is sourced from PubChem (CID 154708815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).