1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea

C17H19F3N4O2 — CID 118766022

IUPAC1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea
SMILESO=C(NCC1CCCO1)Nc1ccnn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)14-6-2-1-4-12(14)11-24-15(7-8-22-24)23-16(25)21-10-13-5-3-9-26-13/h1-2,4,6-8,13H,3,5,9-11H2,(H2,21,23,25)
InChIKeyIVIJWLFVXLHAIX-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.25
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea

1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea (PubChem CID 118766022) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea
PubChem CID118766022
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea
SMILESO=C(NCC1CCCO1)Nc1ccnn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)14-6-2-1-4-12(14)11-24-15(7-8-22-24)23-16(25)21-10-13-5-3-9-26-13/h1-2,4,6-8,13H,3,5,9-11H2,(H2,21,23,25)
InChIKeyIVIJWLFVXLHAIX-UHFFFAOYSA-N
XLogP3.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea 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

5-phenyl-N-(tetrahydro-2-furanylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2975935
1-[(2-Fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
CID 56784570
1-[(3-Fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
CID 56793041
US10323022, Example 20
CID 71015482
N-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]-N'-(tetrahydro-2-furanylmethyl)thiourea
CID 2955518
1-Cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71853307
1-[(2-Ethylphenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 72002505
1-[1-(2-Methoxyethyl)pyrazol-3-yl]-3-(1-phenylcyclopentyl)urea
CID 72014512
(2S)-2-(hydroxymethyl)-N-{1-[2-(trifluoromethyl)benzyl]-1H-pyrazol-5-yl}pyrrolidine-1-carboxamide
CID 72918528
1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 95215865
1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
CID 164642668
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 135656096

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea (CID 118766022) is 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea is O=C(NCC1CCCO1)Nc1ccnn1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea?
The InChIKey is IVIJWLFVXLHAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)14-6-2-1-4-12(14)11-24-15(7-8-22-24)23-16(25)21-10-13-5-3-9-26-13/h1-2,4,6-8,13H,3,5,9-11H2,(H2,21,23,25).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea?
1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea has a molecular weight of 368.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 118766022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).