N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane

C16H17F5N4OS — CID 169169719

IUPACN-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane
SMILESCn1nc(NC=O)c(C2CCC2)c1-c1cnc(C(F)(F)F)s1.FC1(F)CC1
InChIInChI=1S/C13H13F3N4OS.C3H4F2/c1-20-10(8-5-17-12(22-8)13(14,15)16)9(7-3-2-4-7)11(19-20)18-6-21;4-3(5)1-2-3/h5-7H,2-4H2,1H3,(H,18,19,21);1-2H2
InChIKeySPNVTILPIFSJHB-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.81
Rot. Bonds4

About N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane

N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane (PubChem CID 169169719) has the molecular formula C16H17F5N4OS and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane.

Molecular Properties

Compound NameN-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane
PubChem CID169169719
Molecular FormulaC16H17F5N4OS
Molecular Weight408.40 g/mol
Exact Mass408.10
IUPAC NameN-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane
SMILESCn1nc(NC=O)c(C2CCC2)c1-c1cnc(C(F)(F)F)s1.FC1(F)CC1
InChIInChI=1S/C13H13F3N4OS.C3H4F2/c1-20-10(8-5-17-12(22-8)13(14,15)16)9(7-3-2-4-7)11(19-20)18-6-21;4-3(5)1-2-3/h5-7H,2-4H2,1H3,(H,18,19,21);1-2H2
InChIKeySPNVTILPIFSJHB-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169169411
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-[3-(2-tert-butyl-1,3-thiazol-5-yl)-4-cyclobutyl-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169583
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
N-[4-cyclobutyl-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169169667

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]formamide;1,1-difluorocyclopropane?
The IUPAC name of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane (CID 169169719) is N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane.
What is the SMILES notation for N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane?
The canonical SMILES for N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane is Cn1nc(NC=O)c(C2CCC2)c1-c1cnc(C(F)(F)F)s1.FC1(F)CC1.
What is the InChIKey of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane?
The InChIKey is SPNVTILPIFSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS.C3H4F2/c1-20-10(8-5-17-12(22-8)13(14,15)16)9(7-3-2-4-7)11(19-20)18-6-21;4-3(5)1-2-3/h5-7H,2-4H2,1H3,(H,18,19,21);1-2H2.
What are the key properties of N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane?
N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]formamide;1,1-difluorocyclopropane has a molecular weight of 408.40 g/mol, XLogP of 4.81, 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]formamide;1,1-difluorocyclopropane is sourced from PubChem (CID 169169719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).