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

C13H10Cl2N2O2 — CID 28606372

IUPAC5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C1CC1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-4-3-8(5-11(10)15)17-12(7-1-2-7)9(6-16-17)13(18)19/h3-7H,1-2H2,(H,18,19)
InChIKeyMPVGPXKQLGNLDW-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.75
Rot. Bonds3

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

5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid (PubChem CID 28606372) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
PubChem CID28606372
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C1CC1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-4-3-8(5-11(10)15)17-12(7-1-2-7)9(6-16-17)13(18)19/h3-7H,1-2H2,(H,18,19)
InChIKeyMPVGPXKQLGNLDW-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid (CID 28606372) is 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is MPVGPXKQLGNLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-10-4-3-8(5-11(10)15)17-12(7-1-2-7)9(6-16-17)13(18)19/h3-7H,1-2H2,(H,18,19).
What are the key properties of 5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid?
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-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-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 28606372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).