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

C13H15F3N4OS — CID 71993345

IUPAC5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1
InChIInChI=1S/C13H15F3N4OS/c1-7(2)8-5-9(20-19-8)12(21)17-4-3-11-18-10(6-22-11)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWXDDAVRRZTVPDD-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.98
Rot. Bonds5

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

5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 71993345) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID71993345
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1
InChIInChI=1S/C13H15F3N4OS/c1-7(2)8-5-9(20-19-8)12(21)17-4-3-11-18-10(6-22-11)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWXDDAVRRZTVPDD-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37844541
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 50975850
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
5-[1-[3-(1,3-thiazol-4-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926909
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
(5-methyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145418
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(2-isopropyl-1,3-thiazol-4-YL)ethyl]acetamide
CID 72866373
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 177700549
5-[(cyclopropylmethylamino)methyl]-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 177700551
3-(2,4-dimethylthiazol-5-yl)-N-(4-fluorobenzyl)-1H-pyrazole-5-carboxamide
CID 30848783

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide (CID 71993345) is 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WXDDAVRRZTVPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-7(2)8-5-9(20-19-8)12(21)17-4-3-11-18-10(6-22-11)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71993345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).