4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

C13H14N2O2 — CID 82474333

IUPAC4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1ccc(C)c(-c2c(C(=O)O)n[nH]c2C)c1
InChIInChI=1S/C13H14N2O2/c1-7-4-5-8(2)10(6-7)11-9(3)14-15-12(11)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyVGRPRWHWQBAOTM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.70
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 82474333) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID82474333
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1ccc(C)c(-c2c(C(=O)O)n[nH]c2C)c1
InChIInChI=1S/C13H14N2O2/c1-7-4-5-8(2)10(6-7)11-9(3)14-15-12(11)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyVGRPRWHWQBAOTM-UHFFFAOYSA-N
XLogP2.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82472519
4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82489030
4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82485414
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83640390
5-(2,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxylic acid
CID 66929104
3-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole
CID 82111649
5-methyl-4-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxylic acid
CID 153313379
7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
CID 156651039
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
5,8-dimethyl-4-oxo-1H-cinnoline-3-carboxylic acid
CID 84819582

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (CID 82474333) is 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1ccc(C)c(-c2c(C(=O)O)n[nH]c2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is VGRPRWHWQBAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-4-5-8(2)10(6-7)11-9(3)14-15-12(11)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82474333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).