4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C24H29ClF6N4O4S — CID 146287696

IUPAC4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(NC(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C24H29ClF6N4O4S/c1-4-35-20(16-10-7-14(11-17(16)39-2)33-22(23(26,27)28)24(29,30)31)18(25)19(34-35)21(36)32-12-13-5-8-15(9-6-13)40(3,37)38/h7,10-11,13,15,22,33H,4-6,8-9,12H2,1-3H3,(H,32,36)
InChIKeyQHSLKQZDMVWGQF-UHFFFAOYSA-N
MW619.03 g/mol
LogP5.47
Rot. Bonds9

About 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146287696) has the molecular formula C24H29ClF6N4O4S and a molecular weight of 619.03 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146287696
Molecular FormulaC24H29ClF6N4O4S
Molecular Weight619.03 g/mol
Exact Mass618.15
IUPAC Name4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(NC(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C24H29ClF6N4O4S/c1-4-35-20(16-10-7-14(11-17(16)39-2)33-22(23(26,27)28)24(29,30)31)18(25)19(34-35)21(36)32-12-13-5-8-15(9-6-13)40(3,37)38/h7,10-11,13,15,22,33H,4-6,8-9,12H2,1-3H3,(H,32,36)
InChIKeyQHSLKQZDMVWGQF-UHFFFAOYSA-N
XLogP5.47
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.03
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-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 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146287696) is 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(NC(C(F)(F)F)C(F)(F)F)cc1OC.
What is the InChIKey of 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is QHSLKQZDMVWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF6N4O4S/c1-4-35-20(16-10-7-14(11-17(16)39-2)33-22(23(26,27)28)24(29,30)31)18(25)19(34-35)21(36)32-12-13-5-8-15(9-6-13)40(3,37)38/h7,10-11,13,15,22,33H,4-6,8-9,12H2,1-3H3,(H,32,36).
What are the key properties of 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 619.03 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-methoxyphenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146287696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).