tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate

C10H15F3N4O2 — CID 90796907

IUPACtert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(C(F)(F)F)nn1N
InChIInChI=1S/C10H15F3N4O2/c1-9(2,3)19-8(18)16(4)7-5-6(10(11,12)13)15-17(7)14/h5H,14H2,1-4H3
InChIKeyIMKROAJFFSYWEL-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.99
Rot. Bonds1

About tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate

tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate (PubChem CID 90796907) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
PubChem CID90796907
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Nametert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(C(F)(F)F)nn1N
InChIInChI=1S/C10H15F3N4O2/c1-9(2,3)19-8(18)16(4)7-5-6(10(11,12)13)15-17(7)14/h5H,14H2,1-4H3
InChIKeyIMKROAJFFSYWEL-UHFFFAOYSA-N
XLogP1.99
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
CID 67496988
[1-Amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
CID 68786438
tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
CID 123182744
tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 124035715
Tert-butyl 3-amino-5-(trifluoromethyl)pyrazole-1-carboxylate
CID 155753688
tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamate
CID 169179931
tert-butyl N-(3-amino-2-fluoroprop-2-enimidoyl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate
CID 173503341
2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 175286461
tert-butyl N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]carbamate
CID 177766172
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
CID 178710870
4-(5-Trifluoromethyl-2H-pyrazol-3-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 56965585
tert-Butyl (5-cyano-1-methyl-1H-pyrazol-3-yl)(methyl)carbamate
CID 118002958

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate (CID 90796907) is tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(C(F)(F)F)nn1N.
What is the InChIKey of tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
The InChIKey is IMKROAJFFSYWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-9(2,3)19-8(18)16(4)7-5-6(10(11,12)13)15-17(7)14/h5H,14H2,1-4H3.
What are the key properties of tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate has a molecular weight of 280.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate is sourced from PubChem (CID 90796907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).