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

C12H12N2O2 — CID 83640390

IUPAC4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C)c(-c2cn[nH]c2C(=O)O)c1
InChIInChI=1S/C12H12N2O2/c1-7-3-4-8(2)9(5-7)10-6-13-14-11(10)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyLFMLBPBBPZEWHX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.39
Rot. Bonds2

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

4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 83640390) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID83640390
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C)c(-c2cn[nH]c2C(=O)O)c1
InChIInChI=1S/C12H12N2O2/c1-7-3-4-8(2)9(5-7)10-6-13-14-11(10)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyLFMLBPBBPZEWHX-UHFFFAOYSA-N
XLogP2.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
3-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79325240
4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 144691500
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82474333
2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 53222689
4-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 142631992
4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 144691311
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylate
CID 6957868
5-(2,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxylic acid
CID 66929104
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid (CID 83640390) is 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1ccc(C)c(-c2cn[nH]c2C(=O)O)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is LFMLBPBBPZEWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-3-4-8(2)9(5-7)10-6-13-14-11(10)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.39, 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)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83640390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).