5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid

C13H10Cl2N2O2 — CID 63354074

IUPAC5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nn(-c2cccc(Cl)c2)c1Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-8-2-1-3-9(6-8)17-12(15)10(13(18)19)11(16-17)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19)
InChIKeyRVWWCHQGKMODOD-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.75
Rot. Bonds3

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

5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid (PubChem CID 63354074) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
PubChem CID63354074
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nn(-c2cccc(Cl)c2)c1Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-8-2-1-3-9(6-8)17-12(15)10(13(18)19)11(16-17)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19)
InChIKeyRVWWCHQGKMODOD-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63353804
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1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42820477
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
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5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
7-(3-chlorophenyl)-5-cyclopropyl-3,4-dihydrooxathiino[6,5-c]pyrazole 2,2-dioxide
CID 162660361
1-(3-carboxyphenyl)-5-chloro-3-propylpyrazole-4-carboxylic acid
CID 95993436
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
CID 114798809
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid (CID 63354074) is 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid is O=C(O)c1c(C2CC2)nn(-c2cccc(Cl)c2)c1Cl.
What is the InChIKey of 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid?
The InChIKey is RVWWCHQGKMODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-8-2-1-3-9(6-8)17-12(15)10(13(18)19)11(16-17)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19).
What are the key properties of 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid?
5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid has a molecular weight of 297.14 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid is sourced from PubChem (CID 63354074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).