5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid

C15H18N2O2 — CID 82361158

IUPAC5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccccc1C(C)C
InChIInChI=1S/C15H18N2O2/c1-4-13-12(15(18)19)9-16-17(13)14-8-6-5-7-11(14)10(2)3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyNZOICOHRQOBBGL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.26
Rot. Bonds4

About 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid

5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82361158) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
PubChem CID82361158
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccccc1C(C)C
InChIInChI=1S/C15H18N2O2/c1-4-13-12(15(18)19)9-16-17(13)14-8-6-5-7-11(14)10(2)3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyNZOICOHRQOBBGL-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82361151
1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361421
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid
CID 82528610
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361413
1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836227
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-(chloromethyl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 164580458
1-(4-carbamoylphenyl)-5-ethylpyrazole-4-carboxylic acid
CID 82361138
1-(1,3-benzodioxol-5-yl)-5-ethylpyrazole-4-carboxylic acid
CID 82361143

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid (CID 82361158) is 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1ccccc1C(C)C.
What is the InChIKey of 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is NZOICOHRQOBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-13-12(15(18)19)9-16-17(13)14-8-6-5-7-11(14)10(2)3/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).