(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide

C20H24ClN3O3 — CID 75365018

IUPAC(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C20H24ClN3O3/c1-26-17-13-14(12-16(21)20(17)27-2)8-9-19(25)23-18-10-11-22-24(18)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,25)/b9-8+
InChIKeyVPADEOOYKFLUJE-CMDGGOBGSA-N
MW389.88 g/mol
LogP4.71
Rot. Bonds6

About (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide (PubChem CID 75365018) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide
PubChem CID75365018
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C20H24ClN3O3/c1-26-17-13-14(12-16(21)20(17)27-2)8-9-19(25)23-18-10-11-22-24(18)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,25)/b9-8+
InChIKeyVPADEOOYKFLUJE-CMDGGOBGSA-N
XLogP4.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 134013021
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 55337625
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 9438970
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)prop-2-enamide
CID 9396854
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-cyclopentylprop-2-enamide
CID 9213962
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9098331
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467
(E)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51198965
N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75541037
N-[4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-2-methylpropanamide
CID 26679759
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2331637

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide (CID 75365018) is (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccnn2C2CCCCC2)cc(Cl)c1OC.
What is the InChIKey of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide?
The InChIKey is VPADEOOYKFLUJE-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-17-13-14(12-16(21)20(17)27-2)8-9-19(25)23-18-10-11-22-24(18)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,25)/b9-8+.
What are the key properties of (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide?
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide has a molecular weight of 389.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 75365018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).