3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid

C24H17N3O3 — CID 3849112

IUPAC3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccc(C#N)cc3)c(C(=O)O)c2-c2ccccc2)cc1
InChIInChI=1S/C24H17N3O3/c1-30-20-13-11-19(12-14-20)27-23(18-5-3-2-4-6-18)21(24(28)29)22(26-27)17-9-7-16(15-25)8-10-17/h2-14H,1H3,(H,28,29)
InChIKeyGQPVCDOKIVRLQS-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.78
Rot. Bonds5

About 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid

3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid (PubChem CID 3849112) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
PubChem CID3849112
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccc(C#N)cc3)c(C(=O)O)c2-c2ccccc2)cc1
InChIInChI=1S/C24H17N3O3/c1-30-20-13-11-19(12-14-20)27-23(18-5-3-2-4-6-18)21(24(28)29)22(26-27)17-9-7-16(15-25)8-10-17/h2-14H,1H3,(H,28,29)
InChIKeyGQPVCDOKIVRLQS-UHFFFAOYSA-N
XLogP4.78
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
methyl 3-(4-cyanophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
CID 135064086
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 71377669
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid (CID 3849112) is 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid is COc1ccc(-n2nc(-c3ccc(C#N)cc3)c(C(=O)O)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
The InChIKey is GQPVCDOKIVRLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c1-30-20-13-11-19(12-14-20)27-23(18-5-3-2-4-6-18)21(24(28)29)22(26-27)17-9-7-16(15-25)8-10-17/h2-14H,1H3,(H,28,29).
What are the key properties of 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3849112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).