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

C14H17F3N4OS — CID 71983788

IUPACN-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)n[nH]1
InChIInChI=1S/C14H17F3N4OS/c1-8(2)4-9-5-10(20-19-9)13(22)21(3)6-12-18-11(7-23-12)14(15,16)17/h5,7-8H,4,6H2,1-3H3,(H,19,20)
InChIKeyLGSNSSILEVOICS-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 71983788) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID71983788
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC NameN-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)n[nH]1
InChIInChI=1S/C14H17F3N4OS/c1-8(2)4-9-5-10(20-19-9)13(22)21(3)6-12-18-11(7-23-12)14(15,16)17/h5,7-8H,4,6H2,1-3H3,(H,19,20)
InChIKeyLGSNSSILEVOICS-UHFFFAOYSA-N
XLogP3.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
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-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-isopropyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50974003
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
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
N-(2-fluorophenyl)-3-(1-(2-methylthiazole-4-carbonyl)piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 91628894
5-[(cyclopropylmethylamino)methyl]-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 177700551
(3-(2,4-dimethylthiazol-5-yl)-1H-pyrazol-5-yl)(thiomorpholino)methanone
CID 30848788

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 71983788) is N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)n[nH]1.
What is the InChIKey of N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LGSNSSILEVOICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-8(2)4-9-5-10(20-19-9)13(22)21(3)6-12-18-11(7-23-12)14(15,16)17/h5,7-8H,4,6H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methylpropyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71983788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).