3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid

C15H18N2O2 — CID 82089552

IUPAC3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccccc2C(C)C)c(C)c1C(=O)O
InChIInChI=1S/C15H18N2O2/c1-9(2)12-7-5-6-8-13(12)17-11(4)14(15(18)19)10(3)16-17/h5-9H,1-4H3,(H,18,19)
InChIKeyZDFDIZXDEJPVPU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.31
Rot. Bonds3

About 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid

3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82089552) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
PubChem CID82089552
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccccc2C(C)C)c(C)c1C(=O)O
InChIInChI=1S/C15H18N2O2/c1-9(2)12-7-5-6-8-13(12)17-11(4)14(15(18)19)10(3)16-17/h5-9H,1-4H3,(H,18,19)
InChIKeyZDFDIZXDEJPVPU-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

[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid
CID 82528610
(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 63372060
4,5-dimethyl-1-(2-propan-2-ylphenyl)triazole
CID 58328305
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-oxoacetic acid
CID 82133196
2-methyl-1-(2-propan-2-ylphenyl)pyrrole-3-carboxylic acid
CID 82362543
1-(5-amino-2-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 82514238
1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39375252
2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
CID 55209552

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid (CID 82089552) is 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid is Cc1nn(-c2ccccc2C(C)C)c(C)c1C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is ZDFDIZXDEJPVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)12-7-5-6-8-13(12)17-11(4)14(15(18)19)10(3)16-17/h5-9H,1-4H3,(H,18,19).
What are the key properties of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-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 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82089552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).