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

C13H15F3N4OS — CID 78864730

IUPAC1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-4-20-9(5-8(19-20)7(2)3)11(21)18-12-17-10(6-22-12)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,18,21)
InChIKeyPRQVHADSOZVJSL-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.75
Rot. Bonds4

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

1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 78864730) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID78864730
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-4-20-9(5-8(19-20)7(2)3)11(21)18-12-17-10(6-22-12)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,18,21)
InChIKeyPRQVHADSOZVJSL-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 29049788
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid (6-methyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amide
CID 655874
N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 46942741
1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 56648967
1-benzyl-3-tert-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649050
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-[(2,4-difluorophenyl)methyl]pyrazole-5-carboxamide
CID 118715027
N-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 155560481
1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 25855620
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 78864730) is 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is PRQVHADSOZVJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-4-20-9(5-8(19-20)7(2)3)11(21)18-12-17-10(6-22-12)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,18,21).
What are the key properties of 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 78864730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).