tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate

C10H14F3N3O2 — CID 130730956

IUPACtert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)15-6-5-14-16(4)7(6)10(11,12)13/h5H,1-4H3,(H,15,17)
InChIKeyUSYVGPSTSOGVSE-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.79
Rot. Bonds1

About tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate

tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 130730956) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
PubChem CID130730956
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Nametert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)15-6-5-14-16(4)7(6)10(11,12)13/h5H,1-4H3,(H,15,17)
InChIKeyUSYVGPSTSOGVSE-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 60027404
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-(5-ethynyl-1-methyl-1H-pyrazol-4-yl)carbamate
CID 155820579
methyl (2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807998
ethyl N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 17996775
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]formamide
CID 53965845
1-[4-Amino-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 90105558
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]formamide
CID 91159395
tert-Butyl (1-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 99982837
Tert-butyl 3-(4-amino-5-methylpyrazol-1-yl)-4,4-difluoropiperidine-1-carboxylate
CID 118288973
1-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 118365555

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate (CID 130730956) is tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate is Cn1ncc(NC(=O)OC(C)(C)C)c1C(F)(F)F.
What is the InChIKey of tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is USYVGPSTSOGVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)15-6-5-14-16(4)7(6)10(11,12)13/h5H,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 265.23 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 130730956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).