1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea

C15H20F3N3O2 — CID 84598426

IUPAC1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESCN(CC(O)C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H20F3N3O2/c1-20(10-13(22)15(16,17)18)14(23)19-11-5-4-6-12(9-11)21-7-2-3-8-21/h4-6,9,13,22H,2-3,7-8,10H2,1H3,(H,19,23)
InChIKeyKYXZZGMOHMSPJK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.67
Rot. Bonds4

About 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea

1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (PubChem CID 84598426) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
PubChem CID84598426
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESCN(CC(O)C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H20F3N3O2/c1-20(10-13(22)15(16,17)18)14(23)19-11-5-4-6-12(9-11)21-7-2-3-8-21/h4-6,9,13,22H,2-3,7-8,10H2,1H3,(H,19,23)
InChIKeyKYXZZGMOHMSPJK-UHFFFAOYSA-N
XLogP2.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)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

1-[(3R)-3-hydroxybutyl]-1-methyl-3-(3-pyrrolidin-1-ylphenyl)urea
CID 97222637
3-[methyl-[(3-pyrrolidin-1-ylphenyl)carbamoyl]amino]propanoic acid
CID 122078062
2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 2992974
3-(4-ethyl-3-fluorophenyl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 84598770
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
3-[3-(azepan-1-yl)phenyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111453660
1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 97333879
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The IUPAC name of 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (CID 84598426) is 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea.
What is the SMILES notation for 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The canonical SMILES for 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea is CN(CC(O)C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The InChIKey is KYXZZGMOHMSPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-20(10-13(22)15(16,17)18)14(23)19-11-5-4-6-12(9-11)21-7-2-3-8-21/h4-6,9,13,22H,2-3,7-8,10H2,1H3,(H,19,23).
What are the key properties of 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea has a molecular weight of 331.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 84598426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).