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

C13H12Cl2N2O2 — CID 43381541

IUPAC5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid
SMILESCCCc1nn(-c2ccccc2Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C13H12Cl2N2O2/c1-2-5-9-11(13(18)19)12(15)17(16-9)10-7-4-3-6-8(10)14/h3-4,6-7H,2,5H2,1H3,(H,18,19)
InChIKeyGBSGOPHVGSSNFF-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.83
Rot. Bonds4

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

5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid (PubChem CID 43381541) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid
PubChem CID43381541
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid
SMILESCCCc1nn(-c2ccccc2Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C13H12Cl2N2O2/c1-2-5-9-11(13(18)19)12(15)17(16-9)10-7-4-3-6-8(10)14/h3-4,6-7H,2,5H2,1H3,(H,18,19)
InChIKeyGBSGOPHVGSSNFF-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 82362468
5-chloro-1-(2,3-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 82362469
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448
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-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542
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
2-[1-(2-chlorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409903
2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220424
1-(2-chlorophenyl)-3-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 67921146
5-chloro-1-(2-chlorophenyl)-4-formylpyrazole-3-carboxylic acid
CID 21113079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid (CID 43381541) is 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid is CCCc1nn(-c2ccccc2Cl)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid?
The InChIKey is GBSGOPHVGSSNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-2-5-9-11(13(18)19)12(15)17(16-9)10-7-4-3-6-8(10)14/h3-4,6-7H,2,5H2,1H3,(H,18,19).
What are the key properties of 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid?
5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid has a molecular weight of 299.16 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).