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

C15H16Cl2N2O2 — CID 42819828

IUPAC1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)c(C(C)C)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c1-4-12-13(15(20)21)14(8(2)3)18-19(12)9-5-6-10(16)11(17)7-9/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyFZVCKJCWTSJPGJ-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.56
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 42819828) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID42819828
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)c(C(C)C)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c1-4-12-13(15(20)21)14(8(2)3)18-19(12)9-5-6-10(16)11(17)7-9/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyFZVCKJCWTSJPGJ-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

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Related Compounds

1-(3,4-dichlorophenyl)-6-ethyl-4-oxo-5-propanoylpyridazine-3-carboxylic acid
CID 70473116
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid
CID 3287725
5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
CID 42820458
1-(3,4-dichlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820498
1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)pyrazole-4-carboxylic acid
CID 3689123
5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820321
1-(3-chloro-4-fluorophenyl)-3-ethyl-5-propylpyrazole-4-carboxylic acid
CID 3273995
5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820286
5-chloro-1-(3-chloro-4-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43328292
5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 3699576
3-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3798978

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid (CID 42819828) is 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid is CCc1c(C(=O)O)c(C(C)C)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is FZVCKJCWTSJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-4-12-13(15(20)21)14(8(2)3)18-19(12)9-5-6-10(16)11(17)7-9/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid?
1-(3,4-dichlorophenyl)-5-ethyl-3-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-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 42819828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).