1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C29H42F3N5O4S — CID 146286194

IUPAC1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)c1-c1cnc(NCC2CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C29H42F3N5O4S/c1-5-37-27(18(2)26(36-37)28(38)35-16-20-8-12-22(13-9-20)42(4,39)40)23-17-34-25(14-24(23)41-3)33-15-19-6-10-21(11-7-19)29(30,31)32/h14,17,19-22H,5-13,15-16H2,1-4H3,(H,33,34)(H,35,38)
InChIKeyWVWHHHPMCROTGZ-UHFFFAOYSA-N
MW613.75 g/mol
LogP5.40
Rot. Bonds10

About 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286194) has the molecular formula C29H42F3N5O4S and a molecular weight of 613.75 g/mol. Its IUPAC name is 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146286194
Molecular FormulaC29H42F3N5O4S
Molecular Weight613.75 g/mol
Exact Mass613.29
IUPAC Name1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)c1-c1cnc(NCC2CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C29H42F3N5O4S/c1-5-37-27(18(2)26(36-37)28(38)35-16-20-8-12-22(13-9-20)42(4,39)40)23-17-34-25(14-24(23)41-3)33-15-19-6-10-21(11-7-19)29(30,31)32/h14,17,19-22H,5-13,15-16H2,1-4H3,(H,33,34)(H,35,38)
InChIKeyWVWHHHPMCROTGZ-UHFFFAOYSA-N
XLogP5.40
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.75
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286194) is 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)c1-c1cnc(NCC2CCC(C(F)(F)F)CC2)cc1OC.
What is the InChIKey of 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is WVWHHHPMCROTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42F3N5O4S/c1-5-37-27(18(2)26(36-37)28(38)35-16-20-8-12-22(13-9-20)42(4,39)40)23-17-34-25(14-24(23)41-3)33-15-19-6-10-21(11-7-19)29(30,31)32/h14,17,19-22H,5-13,15-16H2,1-4H3,(H,33,34)(H,35,38).
What are the key properties of 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 613.75 g/mol, XLogP of 5.40, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-3-pyridinyl]-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).