1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea

C13H16F3N3O — CID 107423119

IUPAC1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC1(NC(=O)Nc2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H16F3N3O/c1-12(6-7-17-8-12)19-11(20)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,17H,6-8H2,1H3,(H2,18,19,20)
InChIKeyBBTAMTBJLIJHSI-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.58
Rot. Bonds2

About 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 107423119) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID107423119
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC1(NC(=O)Nc2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H16F3N3O/c1-12(6-7-17-8-12)19-11(20)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,17H,6-8H2,1H3,(H2,18,19,20)
InChIKeyBBTAMTBJLIJHSI-UHFFFAOYSA-N
XLogP2.58
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]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

4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 63127198
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439
2-methyl-2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 80549555
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
1-[1-[1-(phenylcarbamothioylamino)cyclopropyl]cyclopropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 162576341
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
CID 130628505
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
N-[2-bromo-4-(trifluoromethyl)phenyl]-3-methylpyrrolidin-3-amine
CID 107426040
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 107423119) is 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC1(NC(=O)Nc2ccc(C(F)(F)F)cc2)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is BBTAMTBJLIJHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-12(6-7-17-8-12)19-11(20)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,17H,6-8H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 287.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 107423119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).