1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide

C25H28Cl2N4O — CID 173139708

IUPAC1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C25H28Cl2N4O/c1-16-23(25(32)28-19-10-7-11-20(15-19)30(2)3)29-31(22-13-12-18(26)14-21(22)27)24(16)17-8-5-4-6-9-17/h4-6,8-9,12-14,19-20H,7,10-11,15H2,1-3H3,(H,28,32)/t19-,20+/m0/s1
InChIKeyVHMUKZWFSMTFHK-VQTJNVASSA-N
MW471.43 g/mol
LogP5.76
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 173139708) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID173139708
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C25H28Cl2N4O/c1-16-23(25(32)28-19-10-7-11-20(15-19)30(2)3)29-31(22-13-12-18(26)14-21(22)27)24(16)17-8-5-4-6-9-17/h4-6,8-9,12-14,19-20H,7,10-11,15H2,1-3H3,(H,28,32)/t19-,20+/m0/s1
InChIKeyVHMUKZWFSMTFHK-VQTJNVASSA-N
XLogP5.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide
CID 173139707
2-[3-[[1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carbonyl]amino]cyclohexyl]ethynylthallium;phosphane;sulfanide
CID 155621835
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
N-[(3R)-1-acetylpiperidin-3-yl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 57341511
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 57341513
(3R)-N-tert-butyl-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidine-1-carboxamide
CID 57341680
1-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-4-methyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 69231421
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide
CID 91303111
N-[2-[2-adamantyl(methyl)amino]ethyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 162699793
[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-4-yl]carbamic acid
CID 71116095
1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]pyrrolidine-2-carboxylic acid
CID 24748315
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide (CID 173139708) is 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide is Cc1c(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is VHMUKZWFSMTFHK-VQTJNVASSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/c1-16-23(25(32)28-19-10-7-11-20(15-19)30(2)3)29-31(22-13-12-18(26)14-21(22)27)24(16)17-8-5-4-6-9-17/h4-6,8-9,12-14,19-20H,7,10-11,15H2,1-3H3,(H,28,32)/t19-,20+/m0/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 471.43 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 173139708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).