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

C11H16F3N3O2 — CID 129047148

IUPACtert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-5-7-17-6-4-8(16-17)11(12,13)14/h4,6H,5,7H2,1-3H3,(H,15,18)
InChIKeyUVZRHRXNDGNNHH-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.43
Rot. Bonds3

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

tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (PubChem CID 129047148) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
PubChem CID129047148
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Nametert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-5-7-17-6-4-8(16-17)11(12,13)14/h4,6H,5,7H2,1-3H3,(H,15,18)
InChIKeyUVZRHRXNDGNNHH-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 60027404
tert-butyl 7-amino-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 138991444
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
tert-butyl N-(5-(difluoromethyl)-1-(piperidin-4-yl)-1H-pyrazol-4-yl)carbamate
CID 138005997
tert-butyl N-(1-(piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 138047230
tert-butyl N-(2-pyrazol-1-ylethyl)carbamate
CID 65143092
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
methyl (2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807998
1-(2-methoxyethyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808074
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530990
tert-Butyl (3S)-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}piperazine-1-carboxylate
CID 57744184
(3S)-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazine-1-carboxylic acid
CID 68986306

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (CID 129047148) is tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The InChIKey is UVZRHRXNDGNNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-5-7-17-6-4-8(16-17)11(12,13)14/h4,6H,5,7H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate has a molecular weight of 279.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 129047148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).