1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide

C11H18FN3O — CID 70952080

IUPAC1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C(C)(C)C)c1CF
InChIInChI=1S/C11H18FN3O/c1-5-13-10(16)8-7-14-15(9(8)6-12)11(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyXMDXEXDLWUBUJZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.86
Rot. Bonds3

About 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide

1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide (PubChem CID 70952080) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide
PubChem CID70952080
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C(C)(C)C)c1CF
InChIInChI=1S/C11H18FN3O/c1-5-13-10(16)8-7-14-15(9(8)6-12)11(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyXMDXEXDLWUBUJZ-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-
CID 164120
1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
CID 175787
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide (CID 70952080) is 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide is CCNC(=O)c1cnn(C(C)(C)C)c1CF.
What is the InChIKey of 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XMDXEXDLWUBUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-5-13-10(16)8-7-14-15(9(8)6-12)11(2,3)4/h7H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide?
1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide has a molecular weight of 227.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 70952080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).