3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid

C16H17FN2O2 — CID 42819806

IUPAC3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-3-13-14(16(20)21)15(10-4-5-10)18-19(13)12-8-6-11(17)7-9-12/h6-10H,2-5H2,1H3,(H,20,21)
InChIKeyDJURODGLTZEZGB-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.54
Rot. Bonds5

About 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid

3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 42819806) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID42819806
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-3-13-14(16(20)21)15(10-4-5-10)18-19(13)12-8-6-11(17)7-9-12/h6-10H,2-5H2,1H3,(H,20,21)
InChIKeyDJURODGLTZEZGB-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid (CID 42819806) is 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)c(C2CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is DJURODGLTZEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-3-13-14(16(20)21)15(10-4-5-10)18-19(13)12-8-6-11(17)7-9-12/h6-10H,2-5H2,1H3,(H,20,21).
What are the key properties of 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid?
3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 42819806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).