3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide

C14H13Cl2N3O — CID 77015918

IUPAC3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
SMILESCN(Cc1cn[nH]c1)C(=O)C=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c1-19(9-11-7-17-18-8-11)14(20)3-2-10-4-12(15)6-13(16)5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZMJRCFCOIUYMEV-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.39
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide

3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide (PubChem CID 77015918) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
PubChem CID77015918
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
SMILESCN(Cc1cn[nH]c1)C(=O)C=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c1-19(9-11-7-17-18-8-11)14(20)3-2-10-4-12(15)6-13(16)5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZMJRCFCOIUYMEV-UHFFFAOYSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-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

3-(1,3-benzodioxol-5-yl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 78956410
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443
(E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
CID 6442148
2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
methyl 2-[3-(3,5-dichlorophenyl)prop-2-enoyl-propylamino]acetate
CID 76912413
methyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76909923
N-methyl-N-(1H-pyrazol-4-ylmethyl)azepane-1-carboxamide
CID 79152116
(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 31846823
3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide
CID 76911154
(1E,4E)-1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600792
1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600794
4-[[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966362

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide (CID 77015918) is 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide is CN(Cc1cn[nH]c1)C(=O)C=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
The InChIKey is ZMJRCFCOIUYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-19(9-11-7-17-18-8-11)14(20)3-2-10-4-12(15)6-13(16)5-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide?
3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide has a molecular weight of 310.18 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 77015918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).