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

C13H15F3N4OS — CID 71985934

IUPAC1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(C)n(C)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-4-8(12-18-10(6-22-12)13(14,15)16)17-11(21)9-5-7(2)20(3)19-9/h5-6,8H,4H2,1-3H3,(H,17,21)
InChIKeyGHKIRVGAONWJNW-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.08
Rot. Bonds4

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

1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide (PubChem CID 71985934) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide
PubChem CID71985934
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(C)n(C)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-4-8(12-18-10(6-22-12)13(14,15)16)17-11(21)9-5-7(2)20(3)19-9/h5-6,8H,4H2,1-3H3,(H,17,21)
InChIKeyGHKIRVGAONWJNW-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 50975850
2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 53611504
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
(5-methyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145418
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 45172138
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 71868743
N-isopropyl-3-{5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72925446

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide (CID 71985934) is 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide is CCC(NC(=O)c1cc(C)n(C)n1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide?
The InChIKey is GHKIRVGAONWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-4-8(12-18-10(6-22-12)13(14,15)16)17-11(21)9-5-7(2)20(3)19-9/h5-6,8H,4H2,1-3H3,(H,17,21).
What are the key properties of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71985934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).