benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate

C20H22F3N3O2 — CID 134062316

IUPACbenzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate
SMILESCCC1NNC(c2cccc(C(F)(F)F)c2)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H22F3N3O2/c1-2-16-18(24-19(27)28-12-13-7-4-3-5-8-13)17(26-25-16)14-9-6-10-15(11-14)20(21,22)23/h3-11,16-18,25-26H,2,12H2,1H3,(H,24,27)
InChIKeyOSHBDYBULIDWAF-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.93
Rot. Bonds5

About benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate

benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate (PubChem CID 134062316) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate
PubChem CID134062316
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Namebenzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate
SMILESCCC1NNC(c2cccc(C(F)(F)F)c2)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H22F3N3O2/c1-2-16-18(24-19(27)28-12-13-7-4-3-5-8-13)17(26-25-16)14-9-6-10-15(11-14)20(21,22)23/h3-11,16-18,25-26H,2,12H2,1H3,(H,24,27)
InChIKeyOSHBDYBULIDWAF-UHFFFAOYSA-N
XLogP3.93
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]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

benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
ethyl 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolidine-3-carboxylate
CID 75132553
benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 171422180
benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 138725392
(3R)-3-(phenylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 93481059
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
benzyl N-[(3S)-2-sulfanylidene-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 90051451
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
(2S,3R)-3-tert-butyl-2-(phenylmethoxycarbonylamino)-2-[3-(trifluoromethyl)phenyl]butanedioic acid
CID 175411214
2-(1,1,2,2,2-pentadeuterioethyl)-4-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 87494431
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate?
The IUPAC name of benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate (CID 134062316) is benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate is CCC1NNC(c2cccc(C(F)(F)F)c2)C1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate?
The InChIKey is OSHBDYBULIDWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-16-18(24-19(27)28-12-13-7-4-3-5-8-13)17(26-25-16)14-9-6-10-15(11-14)20(21,22)23/h3-11,16-18,25-26H,2,12H2,1H3,(H,24,27).
What are the key properties of benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate?
benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate has a molecular weight of 393.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]carbamate is sourced from PubChem (CID 134062316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).