(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide

C26H21Cl2N3O — CID 19392916

IUPAC(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
SMILESCc1cc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H21Cl2N3O/c1-18-14-25(30-31(18)17-20-12-13-23(27)24(28)16-20)29-26(32)22(21-10-6-3-7-11-21)15-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,29,30,32)/b22-15-
InChIKeySGLUZBJBOLRCSX-JCMHNJIXSA-N
MW462.38 g/mol
LogP6.73
Rot. Bonds6

About (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide

(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide (PubChem CID 19392916) has the molecular formula C26H21Cl2N3O and a molecular weight of 462.38 g/mol. Its IUPAC name is (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
PubChem CID19392916
Molecular FormulaC26H21Cl2N3O
Molecular Weight462.38 g/mol
Exact Mass461.11
IUPAC Name(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
SMILESCc1cc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H21Cl2N3O/c1-18-14-25(30-31(18)17-20-12-13-23(27)24(28)16-20)29-26(32)22(21-10-6-3-7-11-21)15-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,29,30,32)/b22-15-
InChIKeySGLUZBJBOLRCSX-JCMHNJIXSA-N
XLogP6.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.38
LogP ≤ 56.73
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

1-benzyl-3-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea
CID 19405608
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 19283657
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
1-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-nitrophenyl)thiourea
CID 19405610
1-benzyl-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-dimethylindole-5-carboxamide
CID 19392897
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
(Z)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,3-diphenylprop-2-enamide
CID 19335964
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19403763
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide (CID 19392916) is (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide is Cc1cc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The InChIKey is SGLUZBJBOLRCSX-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H21Cl2N3O/c1-18-14-25(30-31(18)17-20-12-13-23(27)24(28)16-20)29-26(32)22(21-10-6-3-7-11-21)15-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,29,30,32)/b22-15-.
What are the key properties of (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide?
(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide has a molecular weight of 462.38 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19392916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).