(Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

C18H14FN3O — CID 2360670

IUPAC(Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESNC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O/c19-15-9-6-13(7-10-15)18-14(8-11-17(20)23)12-22(21-18)16-4-2-1-3-5-16/h1-12H,(H2,20,23)/b11-8-
InChIKeyCJXPGEJRWPGZRM-FLIBITNWSA-N
MW307.33 g/mol
LogP3.18
Rot. Bonds4

About (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

(Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 2360670) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID2360670
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name(Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESNC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O/c19-15-9-6-13(7-10-15)18-14(8-11-17(20)23)12-22(21-18)16-4-2-1-3-5-16/h1-12H,(H2,20,23)/b11-8-
InChIKeyCJXPGEJRWPGZRM-FLIBITNWSA-N
XLogP3.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.18
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 (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 2360670) is (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is CJXPGEJRWPGZRM-FLIBITNWSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-15-9-6-13(7-10-15)18-14(8-11-17(20)23)12-22(21-18)16-4-2-1-3-5-16/h1-12H,(H2,20,23)/b11-8-.
What are the key properties of (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
(Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 307.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 2360670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).