N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide

C12H10FN3O — CID 154779024

IUPACN-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C12H10FN3O/c1-2-12(17)15-11-7-8-14-16(11)10-5-3-9(13)4-6-10/h2-8H,1H2,(H,15,17)
InChIKeyLOADSAUBGAPCJV-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.14
Rot. Bonds3

About N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide

N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide (PubChem CID 154779024) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide
PubChem CID154779024
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC NameN-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C12H10FN3O/c1-2-12(17)15-11-7-8-14-16(11)10-5-3-9(13)4-6-10/h2-8H,1H2,(H,15,17)
InChIKeyLOADSAUBGAPCJV-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide?
The IUPAC name of N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide (CID 154779024) is N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide is C=CC(=O)Nc1ccnn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide?
The InChIKey is LOADSAUBGAPCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-2-12(17)15-11-7-8-14-16(11)10-5-3-9(13)4-6-10/h2-8H,1H2,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide?
N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide has a molecular weight of 231.23 g/mol, XLogP of 2.14, 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)pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 154779024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).