(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide

C19H14Cl3N3O — CID 19287743

IUPAC(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C19H14Cl3N3O/c20-15-7-3-1-5-13(15)9-10-18(26)23-19-17(22)12-25(24-19)11-14-6-2-4-8-16(14)21/h1-10,12H,11H2,(H,23,24,26)/b10-9+
InChIKeyKNWPJYDLCXPCCK-MDZDMXLPSA-N
MW406.70 g/mol
LogP5.54
Rot. Bonds5

About (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide

(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 19287743) has the molecular formula C19H14Cl3N3O and a molecular weight of 406.70 g/mol. Its IUPAC name is (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide
PubChem CID19287743
Molecular FormulaC19H14Cl3N3O
Molecular Weight406.70 g/mol
Exact Mass405.02
IUPAC Name(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C19H14Cl3N3O/c20-15-7-3-1-5-13(15)9-10-18(26)23-19-17(22)12-25(24-19)11-14-6-2-4-8-16(14)21/h1-10,12H,11H2,(H,23,24,26)/b10-9+
InChIKeyKNWPJYDLCXPCCK-MDZDMXLPSA-N
XLogP5.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 55.54
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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Related Compounds

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287808
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19397242
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19344949
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19344959
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
(E)-3-(2-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19406967
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474329

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide (CID 19287743) is (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1nn(Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is KNWPJYDLCXPCCK-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H14Cl3N3O/c20-15-7-3-1-5-13(15)9-10-18(26)23-19-17(22)12-25(24-19)11-14-6-2-4-8-16(14)21/h1-10,12H,11H2,(H,23,24,26)/b10-9+.
What are the key properties of (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide?
(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 406.70 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 19287743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).