1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid

C15H18N2O2 — CID 82300551

IUPAC1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
SMILESCc1cccc(-n2ncc(C(=O)O)c2C(C)C)c1C
InChIInChI=1S/C15H18N2O2/c1-9(2)14-12(15(18)19)8-16-17(14)13-7-5-6-10(3)11(13)4/h5-9H,1-4H3,(H,18,19)
InChIKeyZMQPUZFXNMNMIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.31
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid

1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 82300551) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID82300551
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
SMILESCc1cccc(-n2ncc(C(=O)O)c2C(C)C)c1C
InChIInChI=1S/C15H18N2O2/c1-9(2)14-12(15(18)19)8-16-17(14)13-7-5-6-10(3)11(13)4/h5-9H,1-4H3,(H,18,19)
InChIKeyZMQPUZFXNMNMIX-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 166222223
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 28606324
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528578
1-(3-methoxycarbonylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361289
5-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 81254450
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
CID 169196910
5-tert-butyl-1-(2-carboxyphenyl)pyrazole-4-carboxylic acid
CID 82361330
1-(2-bromophenyl)-5-methylpyrazole-4-carboxylic acid
CID 43542795

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid (CID 82300551) is 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid is Cc1cccc(-n2ncc(C(=O)O)c2C(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is ZMQPUZFXNMNMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)14-12(15(18)19)8-16-17(14)13-7-5-6-10(3)11(13)4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82300551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).