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

C10H14F3N3O2 — CID 155144878

IUPACtert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)16(4)6-5-14-15-7(6)10(11,12)13/h5H,1-4H3,(H,14,15)
InChIKeyFDSPXPMDJZJMNN-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.80
Rot. Bonds1

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

tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate (PubChem CID 155144878) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
PubChem CID155144878
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Nametert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)16(4)6-5-14-15-7(6)10(11,12)13/h5H,1-4H3,(H,14,15)
InChIKeyFDSPXPMDJZJMNN-UHFFFAOYSA-N
XLogP2.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate (CID 155144878) is tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate is CN(C(=O)OC(C)(C)C)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate?
The InChIKey is FDSPXPMDJZJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)16(4)6-5-14-15-7(6)10(11,12)13/h5H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate?
tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate has a molecular weight of 265.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate is sourced from PubChem (CID 155144878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).