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

C14H20F3N3O2 — CID 123182744

IUPACtert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(C(F)(F)F)nn1CC1CC1
InChIInChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)19(4)11-7-10(14(15,16)17)18-20(11)8-9-5-6-9/h7,9H,5-6,8H2,1-4H3
InChIKeyFQYSTFILZFQOLH-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.68
Rot. Bonds3

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

tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate (PubChem CID 123182744) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
PubChem CID123182744
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(C(F)(F)F)nn1CC1CC1
InChIInChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)19(4)11-7-10(14(15,16)17)18-20(11)8-9-5-6-9/h7,9H,5-6,8H2,1-4H3
InChIKeyFQYSTFILZFQOLH-UHFFFAOYSA-N
XLogP3.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate 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-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate (CID 123182744) is tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(C(F)(F)F)nn1CC1CC1.
What is the InChIKey of tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
The InChIKey is FQYSTFILZFQOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)19(4)11-7-10(14(15,16)17)18-20(11)8-9-5-6-9/h7,9H,5-6,8H2,1-4H3.
What are the key properties of tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate?
tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate has a molecular weight of 319.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate is sourced from PubChem (CID 123182744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).