(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide

C25H20ClN3O — CID 19283657

IUPAC(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20ClN3O/c26-22-13-11-20(12-14-22)18-29-16-15-24(28-29)27-25(30)23(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-17H,18H2,(H,27,28,30)/b23-17-
InChIKeySAJJQLVFZYUYKI-QJOMJCCJSA-N
MW413.91 g/mol
LogP5.76
Rot. Bonds6

About (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide

(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide (PubChem CID 19283657) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide
PubChem CID19283657
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20ClN3O/c26-22-13-11-20(12-14-22)18-29-16-15-24(28-29)27-25(30)23(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-17H,18H2,(H,27,28,30)/b23-17-
InChIKeySAJJQLVFZYUYKI-QJOMJCCJSA-N
XLogP5.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.76
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'}

Analyze (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 1231817
1-(1-benzylpyrazol-3-yl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395285
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 19392916
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-phenylethyl)thiourea
CID 17374809
(E)-3-(2-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19283652
N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 4122243
(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 6015299
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide (CID 19283657) is (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The InChIKey is SAJJQLVFZYUYKI-QJOMJCCJSA-N. The full InChI is InChI=1S/C25H20ClN3O/c26-22-13-11-20(12-14-22)18-29-16-15-24(28-29)27-25(30)23(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-17H,18H2,(H,27,28,30)/b23-17-.
What are the key properties of (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide has a molecular weight of 413.91 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19283657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).