1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

C32H42Cl2N3O5P — CID 46245165

IUPAC1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCOP(=O)(CCCOCC1CCCCC1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C)cc2)c1C)OCC
InChIInChI=1S/C32H42Cl2N3O5P/c1-5-41-43(39,42-6-2)19-9-18-40-21-25-10-7-8-11-28(25)35-32(38)30-23(4)31(24-14-12-22(3)13-15-24)37(36-30)29-17-16-26(33)20-27(29)34/h12-17,20,25,28H,5-11,18-19,21H2,1-4H3,(H,35,38)
InChIKeyVFIDLSHTDIZMBC-UHFFFAOYSA-N
MW650.58 g/mol
LogP8.42
Rot. Bonds14

About 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 46245165) has the molecular formula C32H42Cl2N3O5P and a molecular weight of 650.58 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID46245165
Molecular FormulaC32H42Cl2N3O5P
Molecular Weight650.58 g/mol
Exact Mass649.22
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCOP(=O)(CCCOCC1CCCCC1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C)cc2)c1C)OCC
InChIInChI=1S/C32H42Cl2N3O5P/c1-5-41-43(39,42-6-2)19-9-18-40-21-25-10-7-8-11-28(25)35-32(38)30-23(4)31(24-14-12-22(3)13-15-24)37(36-30)29-17-16-26(33)20-27(29)34/h12-17,20,25,28H,5-11,18-19,21H2,1-4H3,(H,35,38)
InChIKeyVFIDLSHTDIZMBC-UHFFFAOYSA-N
XLogP8.42
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.58
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide 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

5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide
CID 91303111
1-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-4-methyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 69231421
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-triethoxysilylpropyl)pyrazole-3-carboxamide
CID 86567493
2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 24748688
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
ethyl 4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]butanoate
CID 24748275
N-[[4-(aminomethyl)cyclohexyl]methyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 56665226
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 57341513
4-(2-adamantylmethoxy)-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]butan-1-one
CID 163728726

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 46245165) is 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is CCOP(=O)(CCCOCC1CCCCC1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C)cc2)c1C)OCC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is VFIDLSHTDIZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42Cl2N3O5P/c1-5-41-43(39,42-6-2)19-9-18-40-21-25-10-7-8-11-28(25)35-32(38)30-23(4)31(24-14-12-22(3)13-15-24)37(36-30)29-17-16-26(33)20-27(29)34/h12-17,20,25,28H,5-11,18-19,21H2,1-4H3,(H,35,38).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 650.58 g/mol, XLogP of 8.42, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46245165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).