5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide

C26H27Cl2N3O2 — CID 91303111

IUPAC5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCCC[C@H]2O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1
InChIInChI=1S/C26H27Cl2N3O2/c1-15-24(26(33)29-21-4-2-3-5-23(21)32)30-31(22-13-12-19(27)14-20(22)28)25(15)18-10-8-17(9-11-18)16-6-7-16/h8-14,16,21,23,32H,2-7H2,1H3,(H,29,33)/t21-,23-/m1/s1
InChIKeyKDYHUYLUQPBTBM-FYYLOGMGSA-N
MW484.43 g/mol
LogP6.07
Rot. Bonds5

About 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide

5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide (PubChem CID 91303111) has the molecular formula C26H27Cl2N3O2 and a molecular weight of 484.43 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide
PubChem CID91303111
Molecular FormulaC26H27Cl2N3O2
Molecular Weight484.43 g/mol
Exact Mass483.15
IUPAC Name5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCCC[C@H]2O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1
InChIInChI=1S/C26H27Cl2N3O2/c1-15-24(26(33)29-21-4-2-3-5-23(21)32)30-31(22-13-12-19(27)14-20(22)28)25(15)18-10-8-17(9-11-18)16-6-7-16/h8-14,16,21,23,32H,2-7H2,1H3,(H,29,33)/t21-,23-/m1/s1
InChIKeyKDYHUYLUQPBTBM-FYYLOGMGSA-N
XLogP6.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
1-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-4-methyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 69231421
N-[(3R)-1-acetylpiperidin-3-yl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 57341511
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
1-(2,4-dichlorophenyl)-N-[2-(3-diethoxyphosphorylpropoxymethyl)cyclohexyl]-4-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 46245165
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide
CID 173139707
1-(2,4-dichlorophenyl)-4-methyl-5-[4-(2-methylcyclopropyl)phenyl]-N-piperidin-1-ylpyrazole-3-carboxamide
CID 71089151
1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]pyrrolidine-2-carboxylic acid
CID 24748315
1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide
CID 173139708

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide (CID 91303111) is 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1.
What is the InChIKey of 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is KDYHUYLUQPBTBM-FYYLOGMGSA-N. The full InChI is InChI=1S/C26H27Cl2N3O2/c1-15-24(26(33)29-21-4-2-3-5-23(21)32)30-31(22-13-12-19(27)14-20(22)28)25(15)18-10-8-17(9-11-18)16-6-7-16/h8-14,16,21,23,32H,2-7H2,1H3,(H,29,33)/t21-,23-/m1/s1.
What are the key properties of 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide?
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91303111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).