1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid

C20H20N2O2 — CID 94962316

IUPAC1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
SMILESCCCc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-5-15-8-10-16(11-9-15)19-13-18(20(23)24)21-22(19)17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H,23,24)
InChIKeyRKGCMJOHSJERQC-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.50
Rot. Bonds5

About 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid

1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid (PubChem CID 94962316) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
PubChem CID94962316
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
SMILESCCCc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-5-15-8-10-16(11-9-15)19-13-18(20(23)24)21-22(19)17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H,23,24)
InChIKeyRKGCMJOHSJERQC-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 23934125
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
5-[4-(aminomethyl)phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735619
1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 82362108
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid
CID 2771356
5-butyl-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 82201038
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid (CID 94962316) is 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid is CCCc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is RKGCMJOHSJERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-5-15-8-10-16(11-9-15)19-13-18(20(23)24)21-22(19)17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H,23,24).
What are the key properties of 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid?
1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 94962316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).