prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate

C19H14FN3O2 — CID 71959019

IUPACprop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate
SMILESC#CCOC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C19H14FN3O2/c1-2-11-25-19(24)21-18-13-17(14-7-4-3-5-8-14)22-23(18)16-10-6-9-15(20)12-16/h1,3-10,12-13H,11H2,(H,21,24)
InChIKeyJQEMHTGTOOECHX-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.86
Rot. Bonds4

About prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate

prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate (PubChem CID 71959019) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate
PubChem CID71959019
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Nameprop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate
SMILESC#CCOC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C19H14FN3O2/c1-2-11-25-19(24)21-18-13-17(14-7-4-3-5-8-14)22-23(18)16-10-6-9-15(20)12-16/h1,3-10,12-13H,11H2,(H,21,24)
InChIKeyJQEMHTGTOOECHX-UHFFFAOYSA-N
XLogP3.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
The IUPAC name of prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate (CID 71959019) is prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate is C#CCOC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1.
What is the InChIKey of prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
The InChIKey is JQEMHTGTOOECHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-2-11-25-19(24)21-18-13-17(14-7-4-3-5-8-14)22-23(18)16-10-6-9-15(20)12-16/h1,3-10,12-13H,11H2,(H,21,24).
What are the key properties of prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate has a molecular weight of 335.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 71959019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).