1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid

C15H18N2O2 — CID 82089543

IUPAC1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCc1ccccc1-n1nc(C(=O)O)cc1CC(C)C
InChIInChI=1S/C15H18N2O2/c1-10(2)8-12-9-13(15(18)19)16-17(12)14-7-5-4-6-11(14)3/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyWXFXBPXFQHAHCH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid

1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 82089543) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID82089543
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCc1ccccc1-n1nc(C(=O)O)cc1CC(C)C
InChIInChI=1S/C15H18N2O2/c1-10(2)8-12-9-13(15(18)19)16-17(12)14-7-5-4-6-11(14)3/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyWXFXBPXFQHAHCH-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093375
1-(2,6-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093384
1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093379
1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362041
1-(3-methylbutyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 95453937
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214
1-(2-carboxyphenyl)-5-formylpyrazole-3-carboxylic acid
CID 174412097
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
ethyl 1-(2-methylphenyl)-5-(2-methylpropoxy)pyrazole-3-carboxylate
CID 23157226

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid (CID 82089543) is 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid is Cc1ccccc1-n1nc(C(=O)O)cc1CC(C)C.
What is the InChIKey of 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is WXFXBPXFQHAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)8-12-9-13(15(18)19)16-17(12)14-7-5-4-6-11(14)3/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82089543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).