1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

C11H16F3N3O — CID 78890303

IUPAC1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-4-7(5-2)15-10(18)8-6-17(3)16-9(8)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyDMYXZSPWAFERDM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.36
Rot. Bonds4

About 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 78890303) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID78890303
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-4-7(5-2)15-10(18)8-6-17(3)16-9(8)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyDMYXZSPWAFERDM-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-4-methoxy-3-(methoxymethyl)-1-(methylamino)-1-oxobutan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 67370797
N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 78901856
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 111460989
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 86832975
N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 48861592
N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 44542541
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71879454
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
N-[2-(diethylamino)-2-phenylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008611
N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008846

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 78890303) is 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCC(CC)NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DMYXZSPWAFERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-7(5-2)15-10(18)8-6-17(3)16-9(8)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78890303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).