5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid

C14H13FN2O2 — CID 82301432

IUPAC5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O2/c15-11-5-1-9(2-6-11)8-17-13(10-3-4-10)7-12(16-17)14(18)19/h1-2,5-7,10H,3-4,8H2,(H,18,19)
InChIKeyXWTPGJSJHHGPNJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.65
Rot. Bonds4

About 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid

5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid (PubChem CID 82301432) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
PubChem CID82301432
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O2/c15-11-5-1-9(2-6-11)8-17-13(10-3-4-10)7-12(16-17)14(18)19/h1-2,5-7,10H,3-4,8H2,(H,18,19)
InChIKeyXWTPGJSJHHGPNJ-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid (CID 82301432) is 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CC2)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is XWTPGJSJHHGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-5-1-9(2-6-11)8-17-13(10-3-4-10)7-12(16-17)14(18)19/h1-2,5-7,10H,3-4,8H2,(H,18,19).
What are the key properties of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 82301432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).