5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid

C15H17ClN2O2 — CID 82362468

IUPAC5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid
SMILESCCCc1nn(-c2ccccc2CC)c(Cl)c1C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-3-7-11-13(15(19)20)14(16)18(17-11)12-9-6-5-8-10(12)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyRQQBAYREJJTYGX-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid

5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid (PubChem CID 82362468) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid
PubChem CID82362468
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid
SMILESCCCc1nn(-c2ccccc2CC)c(Cl)c1C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-3-7-11-13(15(19)20)14(16)18(17-11)12-9-6-5-8-10(12)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyRQQBAYREJJTYGX-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid
CID 43381541
5-chloro-1-(2,3-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 82362469
5-chloro-1-(4-methylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 43328310
1-(3-carboxyphenyl)-5-chloro-3-propylpyrazole-4-carboxylic acid
CID 95993436
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448
5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 43542601
5-chloro-3-(methoxymethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 62319735
5-chloro-1-(3,5-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43542603
1-(4-carbamoylphenyl)-5-chloro-3-ethylpyrazole-4-carboxylic acid
CID 82362441
5-chloro-1-(3-chloro-4-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43328292
5-chloro-3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 55158417
5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrazole-4-carboxylic acid
CID 43328249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid (CID 82362468) is 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid is CCCc1nn(-c2ccccc2CC)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid?
The InChIKey is RQQBAYREJJTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-7-11-13(15(19)20)14(16)18(17-11)12-9-6-5-8-10(12)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid?
5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid has a molecular weight of 292.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82362468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).