N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide

C16H14FN3O — CID 15580719

IUPACN-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide
SMILESO=CNC1=NN(c2ccc(F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C16H14FN3O/c17-13-6-8-14(9-7-13)20-15(10-16(19-20)18-11-21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,18,19,21)
InChIKeyMURZHNOCNNBEHL-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.84
Rot. Bonds3

About N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide

N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide (PubChem CID 15580719) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide
PubChem CID15580719
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide
SMILESO=CNC1=NN(c2ccc(F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C16H14FN3O/c17-13-6-8-14(9-7-13)20-15(10-16(19-20)18-11-21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,18,19,21)
InChIKeyMURZHNOCNNBEHL-UHFFFAOYSA-N
XLogP2.84
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide (CID 15580719) is N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide is O=CNC1=NN(c2ccc(F)cc2)C(c2ccccc2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide?
The InChIKey is MURZHNOCNNBEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-6-8-14(9-7-13)20-15(10-16(19-20)18-11-21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,18,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide?
N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide has a molecular weight of 283.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]formamide is sourced from PubChem (CID 15580719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).