5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid

C15H17ClN2O2 — CID 43542601

IUPAC5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
SMILESCCCc1nn(-c2cc(C)cc(C)c2)c(Cl)c1C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-4-5-12-13(15(19)20)14(16)18(17-12)11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyUBYXMEJWRHHHKL-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid

5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid (PubChem CID 43542601) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
PubChem CID43542601
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid
SMILESCCCc1nn(-c2cc(C)cc(C)c2)c(Cl)c1C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-4-5-12-13(15(19)20)14(16)18(17-12)11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyUBYXMEJWRHHHKL-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid (CID 43542601) is 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid is CCCc1nn(-c2cc(C)cc(C)c2)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid?
The InChIKey is UBYXMEJWRHHHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-5-12-13(15(19)20)14(16)18(17-12)11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid?
5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid has a molecular weight of 292.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,5-dimethylphenyl)-3-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43542601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).