(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

C19H15FN2O2 — CID 16557038

IUPAC(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H15FN2O2/c20-14-8-10-16(11-9-14)24-19(23)18-12-17(13-6-7-13)21-22(18)15-4-2-1-3-5-15/h1-5,8-13H,6-7H2
InChIKeyRICBIGHOGBWQAG-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.11
Rot. Bonds4

About (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (PubChem CID 16557038) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
PubChem CID16557038
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H15FN2O2/c20-14-8-10-16(11-9-14)24-19(23)18-12-17(13-6-7-13)21-22(18)15-4-2-1-3-5-15/h1-5,8-13H,6-7H2
InChIKeyRICBIGHOGBWQAG-UHFFFAOYSA-N
XLogP4.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 16557051
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
(4-cyano-2-methoxyphenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 16556848
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998883
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9452252
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998844
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The IUPAC name of (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (CID 16557038) is (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is O=C(Oc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The InChIKey is RICBIGHOGBWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-14-8-10-16(11-9-14)24-19(23)18-12-17(13-6-7-13)21-22(18)15-4-2-1-3-5-15/h1-5,8-13H,6-7H2.
What are the key properties of (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 16557038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).