3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

C15H14N4O2 — CID 664981

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C15H14N4O2/c1-9-14(12-8-13(15(20)21)17-16-12)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)(H,20,21)
InChIKeyOPVDRIOAZSEKCF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.58
Rot. Bonds3

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 664981) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID664981
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C15H14N4O2/c1-9-14(12-8-13(15(20)21)17-16-12)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)(H,20,21)
InChIKeyOPVDRIOAZSEKCF-UHFFFAOYSA-N
XLogP2.58
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
5-phenethyl-1H-pyrazole-3-carboxylic Acid
CID 11830866
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 940540
4-[5-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-1H-pyrrol-2-yl]benzoic acid
CID 135409525
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 611222
5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3161119
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 664981) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OPVDRIOAZSEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-14(12-8-13(15(20)21)17-16-12)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 664981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).