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

C19H15FN2O2 — CID 16557051

IUPAC(3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESO=C(Oc1cccc(F)c1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H15FN2O2/c20-14-5-4-8-16(11-14)24-19(23)18-12-17(13-9-10-13)21-22(18)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2
InChIKeyPNINGVQYKMWPJA-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.11
Rot. Bonds4

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

(3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (PubChem CID 16557051) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
PubChem CID16557051
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESO=C(Oc1cccc(F)c1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H15FN2O2/c20-14-5-4-8-16(11-14)24-19(23)18-12-17(13-9-10-13)21-22(18)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2
InChIKeyPNINGVQYKMWPJA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The IUPAC name of (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (CID 16557051) is (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is O=C(Oc1cccc(F)c1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The InChIKey is PNINGVQYKMWPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-14-5-4-8-16(11-14)24-19(23)18-12-17(13-9-10-13)21-22(18)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2.
What are the key properties of (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
(3-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 (3-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 16557051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).