(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C19H14F3N3O — CID 118731076

IUPAC(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-9-6-13(7-10-15)8-11-18(26)23-17-12-16(24-25-17)14-4-2-1-3-5-14/h1-12H,(H2,23,24,25,26)/b11-8-
InChIKeyYNCQUNIAYMALQE-FLIBITNWSA-N
MW357.34 g/mol
LogP4.75
Rot. Bonds4

About (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 118731076) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID118731076
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-9-6-13(7-10-15)8-11-18(26)23-17-12-16(24-25-17)14-4-2-1-3-5-14/h1-12H,(H2,23,24,25,26)/b11-8-
InChIKeyYNCQUNIAYMALQE-FLIBITNWSA-N
XLogP4.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 118731076) is (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C\c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is YNCQUNIAYMALQE-FLIBITNWSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)15-9-6-13(7-10-15)8-11-18(26)23-17-12-16(24-25-17)14-4-2-1-3-5-14/h1-12H,(H2,23,24,25,26)/b11-8-.
What are the key properties of (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 357.34 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 118731076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).