3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid

C16H9Cl3N2O2 — CID 3356336

IUPAC3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9Cl3N2O2/c17-11-4-2-1-3-10(11)14-8-15(16(22)23)21(20-14)9-5-6-12(18)13(19)7-9/h1-8H,(H,22,23)
InChIKeyIAEVQIQTIFSKEK-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.20
Rot. Bonds3

About 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid

3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid (PubChem CID 3356336) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid
PubChem CID3356336
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9Cl3N2O2/c17-11-4-2-1-3-10(11)14-8-15(16(22)23)21(20-14)9-5-6-12(18)13(19)7-9/h1-8H,(H,22,23)
InChIKeyIAEVQIQTIFSKEK-UHFFFAOYSA-N
XLogP5.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 5106535
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759317
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 5026925
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
CID 7347444
[3-(2-chlorophenyl)-1-(3-chlorophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42662575

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid (CID 3356336) is 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is IAEVQIQTIFSKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-11-4-2-1-3-10(11)14-8-15(16(22)23)21(20-14)9-5-6-12(18)13(19)7-9/h1-8H,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid?
3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 367.62 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 3356336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).