3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide

C23H24Cl3N3O — CID 58326386

IUPAC3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H24Cl3N3O/c1-14-4-2-3-5-19(14)27-23(30)20-13-22(15-6-8-16(24)9-7-15)29(28-20)21-11-10-17(25)12-18(21)26/h6-12,14,19,22H,2-5,13H2,1H3,(H,27,30)
InChIKeySKMWNQGWUSZPOB-UHFFFAOYSA-N
MW464.82 g/mol
LogP6.65
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 58326386) has the molecular formula C23H24Cl3N3O and a molecular weight of 464.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID58326386
Molecular FormulaC23H24Cl3N3O
Molecular Weight464.82 g/mol
Exact Mass463.10
IUPAC Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H24Cl3N3O/c1-14-4-2-3-5-19(14)27-23(30)20-13-22(15-6-8-16(24)9-7-15)29(28-20)21-11-10-17(25)12-18(21)26/h6-12,14,19,22H,2-5,13H2,1H3,(H,27,30)
InChIKeySKMWNQGWUSZPOB-UHFFFAOYSA-N
XLogP6.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-cyclopropyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 58326291
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143394981
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide
CID 173160960
(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 173125791
(3S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 87639880
N-(2-carbamoylpyrrolidin-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 44544494
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-3,4-dihydropyrazole-5-carboxamide
CID 11339280
[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]-ethyl-pentylazanium
CID 143395109
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;thiocyanic acid
CID 87794172
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 71161115
(3S)-N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 69381529
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 67248946

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide (CID 58326386) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide is CC1CCCCC1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is SKMWNQGWUSZPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl3N3O/c1-14-4-2-3-5-19(14)27-23(30)20-13-22(15-6-8-16(24)9-7-15)29(28-20)21-11-10-17(25)12-18(21)26/h6-12,14,19,22H,2-5,13H2,1H3,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide?
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 464.82 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 58326386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).