1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide

C14H17F3N4OS — CID 71868743

IUPAC1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1c(C)nn(C)c1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H17F3N4OS/c1-5-9(13-19-10(6-23-13)14(15,16)17)18-12(22)11-7(2)20-21(4)8(11)3/h6,9H,5H2,1-4H3,(H,18,22)
InChIKeyPEEQKKAMLCAWMD-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.39
Rot. Bonds4

About 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide (PubChem CID 71868743) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
PubChem CID71868743
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC Name1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1c(C)nn(C)c1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H17F3N4OS/c1-5-9(13-19-10(6-23-13)14(15,16)17)18-12(22)11-7(2)20-21(4)8(11)3/h6,9H,5H2,1-4H3,(H,18,22)
InChIKeyPEEQKKAMLCAWMD-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 75358483
N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide
CID 71983790
4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74230817
3-(difluoromethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 124215056
N-propan-2-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 66874718
5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
CID 68850643
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 170553995
3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide
CID 170553996

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide (CID 71868743) is 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide is CCC(NC(=O)c1c(C)nn(C)c1C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
The InChIKey is PEEQKKAMLCAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-5-9(13-19-10(6-23-13)14(15,16)17)18-12(22)11-7(2)20-21(4)8(11)3/h6,9H,5H2,1-4H3,(H,18,22).
What are the key properties of 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71868743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).