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

C11H16F3N3O2 — CID 75175985

IUPACtert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate
SMILESCn1nc(CNC(=O)OC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-6-7-5-8(11(12,13)14)17(4)16-7/h5H,6H2,1-4H3,(H,15,18)
InChIKeyDAQDUHOHFXLSIG-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.46
Rot. Bonds2

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

tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate (PubChem CID 75175985) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate
PubChem CID75175985
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Nametert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate
SMILESCn1nc(CNC(=O)OC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-6-7-5-8(11(12,13)14)17(4)16-7/h5H,6H2,1-4H3,(H,15,18)
InChIKeyDAQDUHOHFXLSIG-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate (CID 75175985) is tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate is Cn1nc(CNC(=O)OC(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate?
The InChIKey is DAQDUHOHFXLSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-6-7-5-8(11(12,13)14)17(4)16-7/h5H,6H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate?
tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate has a molecular weight of 279.26 g/mol, XLogP of 2.46, 2 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-3-yl]methyl]carbamate is sourced from PubChem (CID 75175985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).