(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide

C25H21N3O — CID 1231817

IUPAC(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O/c29-25(27-23-14-12-21(13-15-23)19-28-17-7-16-26-28)24(22-10-5-2-6-11-22)18-20-8-3-1-4-9-20/h1-18H,19H2,(H,27,29)/b24-18-
InChIKeyPPOIQGFHTXTGNO-MOHJPFBDSA-N
MW379.46 g/mol
LogP5.11
Rot. Bonds6

About (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide

(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide (PubChem CID 1231817) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
PubChem CID1231817
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O/c29-25(27-23-14-12-21(13-15-23)19-28-17-7-16-26-28)24(22-10-5-2-6-11-22)18-20-8-3-1-4-9-20/h1-18H,19H2,(H,27,29)/b24-18-
InChIKeyPPOIQGFHTXTGNO-MOHJPFBDSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 19283657
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide
CID 108760697
(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide
CID 19346305
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide (CID 1231817) is (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide is O=C(Nc1ccc(Cn2cccn2)cc1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is PPOIQGFHTXTGNO-MOHJPFBDSA-N. The full InChI is InChI=1S/C25H21N3O/c29-25(27-23-14-12-21(13-15-23)19-28-17-7-16-26-28)24(22-10-5-2-6-11-22)18-20-8-3-1-4-9-20/h1-18H,19H2,(H,27,29)/b24-18-.
What are the key properties of (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide?
(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 379.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1231817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).