N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C10H14F3N3O — CID 19267656

IUPACN-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H14F3N3O/c1-4-6(2)14-9(17)7-5-8(10(11,12)13)16(3)15-7/h5-6H,4H2,1-3H3,(H,14,17)
InChIKeyWCLTZOCREASCNK-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.97
Rot. Bonds3

About N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267656) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267656
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H14F3N3O/c1-4-6(2)14-9(17)7-5-8(10(11,12)13)16(3)15-7/h5-6H,4H2,1-3H3,(H,14,17)
InChIKeyWCLTZOCREASCNK-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98331341
1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4770930
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 166260812
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267771
N-(3-chloro-4-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001423

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267656) is N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCC(C)NC(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is WCLTZOCREASCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-4-6(2)14-9(17)7-5-8(10(11,12)13)16(3)15-7/h5-6H,4H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).