tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

C16H23F3N4O3 — CID 163279421

IUPACtert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(n3cc(NCCOC(F)(F)F)cn3)(C1)C2
InChIInChI=1S/C16H23F3N4O3/c1-13(2,3)26-12(24)22-14-8-15(9-14,10-14)23-7-11(6-21-23)20-4-5-25-16(17,18)19/h6-7,20H,4-5,8-10H2,1-3H3,(H,22,24)
InChIKeyBZHZSRBZLRFULP-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.99
Rot. Bonds6

About tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 163279421) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID163279421
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC Nametert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(n3cc(NCCOC(F)(F)F)cn3)(C1)C2
InChIInChI=1S/C16H23F3N4O3/c1-13(2,3)26-12(24)22-14-8-15(9-14,10-14)23-7-11(6-21-23)20-4-5-25-16(17,18)19/h6-7,20H,4-5,8-10H2,1-3H3,(H,22,24)
InChIKeyBZHZSRBZLRFULP-UHFFFAOYSA-N
XLogP2.99
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]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 N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 163279788
tert-butyl N-[3-[4-[[3-(trifluoromethoxy)cyclobutyl]methoxy]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 163279737
tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
CID 115735732
tert-butyl N-[3-[[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155717070
(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)propoxyamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 170549290
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]methyl 4-(trifluoromethyl)benzenesulfonate
CID 134330597
tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 169150003
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
CID 168724937
tert-butyl N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 154682495

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (CID 163279421) is tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C)(C)OC(=O)NC12CC(n3cc(NCCOC(F)(F)F)cn3)(C1)C2.
What is the InChIKey of tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is BZHZSRBZLRFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3/c1-13(2,3)26-12(24)22-14-8-15(9-14,10-14)23-7-11(6-21-23)20-4-5-25-16(17,18)19/h6-7,20H,4-5,8-10H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 376.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 163279421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).