N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C10H14F3N3O — CID 2809211

IUPACN-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-9(2,3)14-8(17)6-16-5-4-7(15-16)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,17)
InChIKeyAVUIAWKBPKWLRA-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.82
Rot. Bonds2

About N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2809211) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2809211
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-9(2,3)14-8(17)6-16-5-4-7(15-16)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,17)
InChIKeyAVUIAWKBPKWLRA-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 4765832
1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethanamine
CID 19620741
(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid hydrazide
CID 2064142
1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 3659554
N-[(Z)-(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6219663
N-[(2-ethylpyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 19294477
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
1-[3-(Trifluoromethyl)pyrazol-1-yl]ethanone
CID 138984067
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
1-[3-(Difluoromethyl)pyrazol-1-yl]ethanone
CID 154716540
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 45106808

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2809211) is N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AVUIAWKBPKWLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-9(2,3)14-8(17)6-16-5-4-7(15-16)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,17).
What are the key properties of N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 249.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2809211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).