N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide

C24H36N4O4S — CID 171034417

IUPACN-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
SMILESCOC1CCC(c2nn(C)c(C(=O)N(C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H36N4O4S/c1-16-8-14-19(15-9-16)33(30,31)26-21-20(17-10-12-18(32-7)13-11-17)25-28(6)22(21)23(29)27(5)24(2,3)4/h8-9,14-15,17-18,26H,10-13H2,1-7H3
InChIKeyFSLJSLVQRNACBD-UHFFFAOYSA-N
MW476.64 g/mol
LogP4.07
Rot. Bonds6

About N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide

N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide (PubChem CID 171034417) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
PubChem CID171034417
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC NameN-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
SMILESCOC1CCC(c2nn(C)c(C(=O)N(C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H36N4O4S/c1-16-8-14-19(15-9-16)33(30,31)26-21-20(17-10-12-18(32-7)13-11-17)25-28(6)22(21)23(29)27(5)24(2,3)4/h8-9,14-15,17-18,26H,10-13H2,1-7H3
InChIKeyFSLJSLVQRNACBD-UHFFFAOYSA-N
XLogP4.07
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-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

N-[(2S)-3,3-dimethylbutan-2-yl]-3-[2-(methoxymethyl)phenyl]-1-methyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
CID 170553527
4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexen-1-yl)-1-methylpyrazole-5-carboxamide
CID 170553528
4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
CID 170648397
4-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
CID 170670681
4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
CID 170670717
4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
CID 170670720
3-(3,6-dihydro-2H-pyran-4-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
CID 170553549
3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-[1-(1-methylpyrrolidin-2-yl)pentan-3-yloxy]benzenesulfonamide
CID 136336949
3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-[5-(1-methylpyrrolidin-2-yl)pentoxy]benzenesulfonamide
CID 136336951
tert-butyl 4-[5-[[(2S)-3,3-dimethylbutan-2-yl]carbamoyl]-1-methyl-4-[(4-methylphenyl)sulfonylamino]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170553520
N-[(2S)-3,3-dimethylbutan-2-yl]-3-[3-(methoxymethyl)phenyl]-1-methyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
CID 170553578
N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4,4-dimethylcyclohexen-1-yl)-1-methyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
CID 170648380

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide (CID 171034417) is N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide is COC1CCC(c2nn(C)c(C(=O)N(C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide?
The InChIKey is FSLJSLVQRNACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4S/c1-16-8-14-19(15-9-16)33(30,31)26-21-20(17-10-12-18(32-7)13-11-17)25-28(6)22(21)23(29)27(5)24(2,3)4/h8-9,14-15,17-18,26H,10-13H2,1-7H3.
What are the key properties of N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide?
N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide is sourced from PubChem (CID 171034417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).