N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide

C18H20F4N4OS — CID 169169804

IUPACN-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide
SMILESCn1nc(NC(=O)C2CC(C)(F)C2)c(C2CCC2)c1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C18H20F4N4OS/c1-17(19)6-10(7-17)15(27)24-14-12(9-4-3-5-9)13(26(2)25-14)11-8-23-16(28-11)18(20,21)22/h8-10H,3-7H2,1-2H3,(H,24,25,27)
InChIKeyNWGOVWIQMHEQOP-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.91
Rot. Bonds4

About N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide

N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide (PubChem CID 169169804) has the molecular formula C18H20F4N4OS and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide
PubChem CID169169804
Molecular FormulaC18H20F4N4OS
Molecular Weight416.44 g/mol
Exact Mass416.13
IUPAC NameN-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide
SMILESCn1nc(NC(=O)C2CC(C)(F)C2)c(C2CCC2)c1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C18H20F4N4OS/c1-17(19)6-10(7-17)15(27)24-14-12(9-4-3-5-9)13(26(2)25-14)11-8-23-16(28-11)18(20,21)22/h8-10H,3-7H2,1-2H3,(H,24,25,27)
InChIKeyNWGOVWIQMHEQOP-UHFFFAOYSA-N
XLogP4.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide (CID 169169804) is N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide is Cn1nc(NC(=O)C2CC(C)(F)C2)c(C2CCC2)c1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide?
The InChIKey is NWGOVWIQMHEQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4OS/c1-17(19)6-10(7-17)15(27)24-14-12(9-4-3-5-9)13(26(2)25-14)11-8-23-16(28-11)18(20,21)22/h8-10H,3-7H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide?
N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 169169804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).