N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C17H14F3N3OS — CID 55739694

IUPACN-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H14F3N3OS/c1-23(10-11-4-6-12(7-5-11)17(18,19)20)16(24)14-9-13(21-22-14)15-3-2-8-25-15/h2-9H,10H2,1H3,(H,21,22)
InChIKeyXKBCFSSFSBNCHY-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.43
Rot. Bonds4

About N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 55739694) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID55739694
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H14F3N3OS/c1-23(10-11-4-6-12(7-5-11)17(18,19)20)16(24)14-9-13(21-22-14)15-3-2-8-25-15/h2-9H,10H2,1H3,(H,21,22)
InChIKeyXKBCFSSFSBNCHY-UHFFFAOYSA-N
XLogP4.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55739896
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 109388243
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55790185
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55954503
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19514981
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 39628059
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 55739694) is N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XKBCFSSFSBNCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-23(10-11-4-6-12(7-5-11)17(18,19)20)16(24)14-9-13(21-22-14)15-3-2-8-25-15/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55739694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).