3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid

C15H14Cl2N2O2 — CID 62633700

IUPAC3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)c(Cl)c2)nc1C1CCCC1
InChIInChI=1S/C15H14Cl2N2O2/c16-12-6-5-10(7-13(12)17)19-8-11(15(20)21)14(18-19)9-3-1-2-4-9/h5-9H,1-4H2,(H,20,21)
InChIKeyPGGVIQAVEIEVDI-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.53
Rot. Bonds3

About 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid

3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid (PubChem CID 62633700) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
PubChem CID62633700
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)c(Cl)c2)nc1C1CCCC1
InChIInChI=1S/C15H14Cl2N2O2/c16-12-6-5-10(7-13(12)17)19-8-11(15(20)21)14(18-19)9-3-1-2-4-9/h5-9H,1-4H2,(H,20,21)
InChIKeyPGGVIQAVEIEVDI-UHFFFAOYSA-N
XLogP4.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid (CID 62633700) is 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)c(Cl)c2)nc1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is PGGVIQAVEIEVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-6-5-10(7-13(12)17)19-8-11(15(20)21)14(18-19)9-3-1-2-4-9/h5-9H,1-4H2,(H,20,21).
What are the key properties of 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 325.19 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 62633700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).