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

C15H16Cl2N2O2 — CID 3687135

IUPAC1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cc(Cl)ccc2Cl)c(C(C)C)c1C(=O)O
InChIInChI=1S/C15H16Cl2N2O2/c1-4-11-13(15(20)21)14(8(2)3)19(18-11)12-7-9(16)5-6-10(12)17/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyMVSOLGHJIWNCFN-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.56
Rot. Bonds4

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

1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 3687135) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID3687135
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cc(Cl)ccc2Cl)c(C(C)C)c1C(=O)O
InChIInChI=1S/C15H16Cl2N2O2/c1-4-11-13(15(20)21)14(8(2)3)19(18-11)12-7-9(16)5-6-10(12)17/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyMVSOLGHJIWNCFN-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorophenyl)-3-hex-3-enyl-5-propan-2-ylpyrazole-4-carboxylic acid
CID 3690605
1-(2,5-dichlorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid
CID 3344991
1-(2,5-dichlorophenyl)-5-methyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 3763664
1-(2,4-dichlorophenyl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430854
1-(2,5-dichlorophenyl)-5-ethyl-3-[(Z)-hex-3-enyl]pyrazole-4-carboxylic acid
CID 134086144
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 3699576
1-(2,5-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid
CID 43652650
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
1-(3-chloro-4-fluorophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid
CID 3728413
1-(3-chloro-4-fluorophenyl)-3-ethyl-5-propylpyrazole-4-carboxylic acid
CID 3273995
5-chloro-1-(3-chloro-4-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43328292
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid (CID 3687135) is 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid is CCc1nn(-c2cc(Cl)ccc2Cl)c(C(C)C)c1C(=O)O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is MVSOLGHJIWNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-4-11-13(15(20)21)14(8(2)3)19(18-11)12-7-9(16)5-6-10(12)17/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid?
1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 327.21 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3687135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).