1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea

C14H22F2N4O2S — CID 71976462

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea
SMILESCCS(=O)C1CCCC(NC(=O)Nc2ccn(CC(F)F)n2)C1
InChIInChI=1S/C14H22F2N4O2S/c1-2-23(22)11-5-3-4-10(8-11)17-14(21)18-13-6-7-20(19-13)9-12(15)16/h6-7,10-12H,2-5,8-9H2,1H3,(H2,17,18,19,21)
InChIKeyUSOLSTYBERENAU-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.35
Rot. Bonds6

About 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea (PubChem CID 71976462) has the molecular formula C14H22F2N4O2S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea
PubChem CID71976462
Molecular FormulaC14H22F2N4O2S
Molecular Weight348.42 g/mol
Exact Mass348.14
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea
SMILESCCS(=O)C1CCCC(NC(=O)Nc2ccn(CC(F)F)n2)C1
InChIInChI=1S/C14H22F2N4O2S/c1-2-23(22)11-5-3-4-10(8-11)17-14(21)18-13-6-7-20(19-13)9-12(15)16/h6-7,10-12H,2-5,8-9H2,1H3,(H2,17,18,19,21)
InChIKeyUSOLSTYBERENAU-UHFFFAOYSA-N
XLogP2.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)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

CID 72845724
CID 72845724
CID 138025003
CID 138025003
CID 164633786
CID 164633786
CID 119044971
CID 119044971
CID 178134827
CID 178134827
CID 71978905
CID 71978905
CID 75414648
CID 75414648
CID 96483443
CID 96483443
CID 96483445
CID 96483445
CID 97591820
CID 97591820
CID 97591821
CID 97591821
CID 99848479
CID 99848479

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea (CID 71976462) is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea is CCS(=O)C1CCCC(NC(=O)Nc2ccn(CC(F)F)n2)C1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea?
The InChIKey is USOLSTYBERENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2S/c1-2-23(22)11-5-3-4-10(8-11)17-14(21)18-13-6-7-20(19-13)9-12(15)16/h6-7,10-12H,2-5,8-9H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea?
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea has a molecular weight of 348.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea is sourced from PubChem (CID 71976462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).