1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

C14H15F3N4O — CID 99799726

IUPAC1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCCc1ccn[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)11-5-1-2-6-12(11)20-13(22)18-8-3-4-10-7-9-19-21-10/h1-2,5-7,9H,3-4,8H2,(H,19,21)(H2,18,20,22)
InChIKeyVCVRFSNNMRCZBE-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.18
Rot. Bonds5

About 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 99799726) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID99799726
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC Name1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCCc1ccn[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)11-5-1-2-6-12(11)20-13(22)18-8-3-4-10-7-9-19-21-10/h1-2,5-7,9H,3-4,8H2,(H,19,21)(H2,18,20,22)
InChIKeyVCVRFSNNMRCZBE-UHFFFAOYSA-N
XLogP3.18
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(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

1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119099354
1-[3-(cyclopropylamino)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 61315173
(2S)-2-hydroxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 107835137
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 83036718
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705740
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 99799726) is 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCCCc1ccn[nH]1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is VCVRFSNNMRCZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)11-5-1-2-6-12(11)20-13(22)18-8-3-4-10-7-9-19-21-10/h1-2,5-7,9H,3-4,8H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 312.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 99799726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).