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

C17H16F6N4OS — CID 169169411

IUPACN-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCn1nc(-c2cnc(C(F)(F)F)s2)c(C2CCC2)c1NC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H16F6N4OS/c1-27-12(25-13(28)15(5-6-15)17(21,22)23)10(8-3-2-4-8)11(26-27)9-7-24-14(29-9)16(18,19)20/h7-8H,2-6H2,1H3,(H,25,28)
InChIKeyUGMFRPXSAFJLLX-UHFFFAOYSA-N
MW438.40 g/mol
LogP5.11
Rot. Bonds4

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

N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 169169411) has the molecular formula C17H16F6N4OS and a molecular weight of 438.40 g/mol. Its IUPAC name is N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID169169411
Molecular FormulaC17H16F6N4OS
Molecular Weight438.40 g/mol
Exact Mass438.09
IUPAC NameN-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCn1nc(-c2cnc(C(F)(F)F)s2)c(C2CCC2)c1NC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H16F6N4OS/c1-27-12(25-13(28)15(5-6-15)17(21,22)23)10(8-3-2-4-8)11(26-27)9-7-24-14(29-9)16(18,19)20/h7-8H,2-6H2,1H3,(H,25,28)
InChIKeyUGMFRPXSAFJLLX-UHFFFAOYSA-N
XLogP5.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclobutyl]acetamide
CID 169169259
N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 169169314
N-[3-(2-tert-butyl-1,3-thiazol-5-yl)-4-cyclobutyl-1-methylpyrazol-5-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 169169329
4-Cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
CID 169169432
N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-2-(oxetan-3-yl)acetamide
CID 169169440
5-[4-Cyclobutyl-1-methyl-5-[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]pyrazol-3-yl]-1,3-thiazole-2-carboxylic acid
CID 169169536
N-[4-cyclobutyl-3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169545
N-[3-(2-tert-butyl-1,3-thiazol-5-yl)-4-cyclobutyl-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169583
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
CID 169169592
N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 169169618
N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 169169620
N-[3-(2-tert-butyl-1,3-thiazol-5-yl)-4-cyclobutyl-1-methylpyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 169169662

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 169169411) is N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Cn1nc(-c2cnc(C(F)(F)F)s2)c(C2CCC2)c1NC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UGMFRPXSAFJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N4OS/c1-27-12(25-13(28)15(5-6-15)17(21,22)23)10(8-3-2-4-8)11(26-27)9-7-24-14(29-9)16(18,19)20/h7-8H,2-6H2,1H3,(H,25,28).
What are the key properties of N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 438.40 g/mol, XLogP of 5.11, 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-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169169411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).