1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea

C13H17F5N4O — CID 167838270

IUPAC1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)nn1C
InChIInChI=1S/C13H17F5N4O/c1-8-7-9(21-22(8)2)19-10(23)20-11(13(16,17)18)3-5-12(14,15)6-4-11/h7H,3-6H2,1-2H3,(H2,19,20,21,23)
InChIKeyDIIHMUAHCWPMBX-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.36
Rot. Bonds2

About 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea

1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea (PubChem CID 167838270) has the molecular formula C13H17F5N4O and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea
PubChem CID167838270
Molecular FormulaC13H17F5N4O
Molecular Weight340.30 g/mol
Exact Mass340.13
IUPAC Name1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)nn1C
InChIInChI=1S/C13H17F5N4O/c1-8-7-9(21-22(8)2)19-10(23)20-11(13(16,17)18)3-5-12(14,15)6-4-11/h7H,3-6H2,1-2H3,(H2,19,20,21,23)
InChIKeyDIIHMUAHCWPMBX-UHFFFAOYSA-N
XLogP3.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-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

1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
1-(1,5-dimethylpyrazol-3-yl)-3-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]urea
CID 126826794
4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 108813242
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
CID 126982193
(1S,2R,3R,4S)-3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714334
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106217887
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea (CID 167838270) is 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)nn1C.
What is the InChIKey of 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea?
The InChIKey is DIIHMUAHCWPMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5N4O/c1-8-7-9(21-22(8)2)19-10(23)20-11(13(16,17)18)3-5-12(14,15)6-4-11/h7H,3-6H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea?
1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea has a molecular weight of 340.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 167838270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).