tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate

C14H20F3N3O2 — CID 146203737

IUPACtert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cn2nccc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)19-10-6-9(7-10)8-20-11(4-5-18-20)14(15,16)17/h4-5,9-10H,6-8H2,1-3H3,(H,19,21)
InChIKeyUCPZAQXVAMOUGT-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.21
Rot. Bonds3

About tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate

tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate (PubChem CID 146203737) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate
PubChem CID146203737
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cn2nccc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)19-10-6-9(7-10)8-20-11(4-5-18-20)14(15,16)17/h4-5,9-10H,6-8H2,1-3H3,(H,19,21)
InChIKeyUCPZAQXVAMOUGT-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate (CID 146203737) is tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Cn2nccc2C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate?
The InChIKey is UCPZAQXVAMOUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)19-10-6-9(7-10)8-20-11(4-5-18-20)14(15,16)17/h4-5,9-10H,6-8H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate?
tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate has a molecular weight of 319.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 146203737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).