[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate

C21H23F3N4O4 — CID 68520798

IUPAC[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1C(F)(F)F)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1
InChIInChI=1S/C21H23F3N4O4/c22-21(23,24)15-5-2-1-4-12(15)11-25-20(30)32-14-8-13(9-14)16-10-18(28-27-16)26-19(29)17-6-3-7-31-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,25,30)(H2,26,27,28,29)/t13?,14?,17-/m1/s1
InChIKeyWJLKNJOOUNAWIG-MQBCKMQZSA-N
MW452.43 g/mol
LogP3.72
Rot. Bonds6

About [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate

[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 68520798) has the molecular formula C21H23F3N4O4 and a molecular weight of 452.43 g/mol. Its IUPAC name is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID68520798
Molecular FormulaC21H23F3N4O4
Molecular Weight452.43 g/mol
Exact Mass452.17
IUPAC Name[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1C(F)(F)F)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1
InChIInChI=1S/C21H23F3N4O4/c22-21(23,24)15-5-2-1-4-12(15)11-25-20(30)32-14-8-13(9-14)16-10-18(28-27-16)26-19(29)17-6-3-7-31-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,25,30)(H2,26,27,28,29)/t13?,14?,17-/m1/s1
InChIKeyWJLKNJOOUNAWIG-MQBCKMQZSA-N
XLogP3.72
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]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

Related Compounds

(2S)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635351
[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
CID 11236187
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
CID 11292559
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 11304796
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
CID 11440749
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
CID 68519422
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 68520439
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 68520445
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 68520801
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-chloro-6-fluorophenyl)methyl]carbamate
CID 68521619
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-chloro-6-fluorophenyl)methyl]carbamate
CID 68521625
[3-[3-[(2-methyl-2-phenylpropanoyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 68522512

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate (CID 68520798) is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1ccccc1C(F)(F)F)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1.
What is the InChIKey of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is WJLKNJOOUNAWIG-MQBCKMQZSA-N. The full InChI is InChI=1S/C21H23F3N4O4/c22-21(23,24)15-5-2-1-4-12(15)11-25-20(30)32-14-8-13(9-14)16-10-18(28-27-16)26-19(29)17-6-3-7-31-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,25,30)(H2,26,27,28,29)/t13?,14?,17-/m1/s1.
What are the key properties of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 452.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 68520798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).