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

C13H12Cl2N2O2 — CID 43381542

IUPAC5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)c1nn(-c2ccccc2Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C13H12Cl2N2O2/c1-7(2)11-10(13(18)19)12(15)17(16-11)9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,18,19)
InChIKeyPZVAKZUQPPMMNT-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.00
Rot. Bonds3

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

5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 43381542) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID43381542
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)c1nn(-c2ccccc2Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C13H12Cl2N2O2/c1-7(2)11-10(13(18)19)12(15)17(16-11)9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,18,19)
InChIKeyPZVAKZUQPPMMNT-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid
CID 43381541
5-chloro-1-(2-chlorophenyl)-4-formylpyrazole-3-carboxylic acid
CID 21113079
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448
2-[2-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 98022813
1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 42819828
5-chloro-1-(2-ethylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 82362468
2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol
CID 111469404
[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol
CID 82087529
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82089552
[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
CID 62892945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid (CID 43381542) is 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid is CC(C)c1nn(-c2ccccc2Cl)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is PZVAKZUQPPMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-7(2)11-10(13(18)19)12(15)17(16-11)9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 299.16 g/mol, XLogP of 4.00, 3 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-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43381542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).