1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea

C14H14F4N4O2 — CID 111521217

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1c(F)cccc1F)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C14H14F4N4O2/c15-9-2-1-3-10(16)13(9)11(23)5-19-14(24)21-8-4-20-22(6-8)7-12(17)18/h1-4,6,11-12,23H,5,7H2,(H2,19,21,24)
InChIKeyVJVBIUVEZBSXFY-UHFFFAOYSA-N
MW346.28 g/mol
LogP2.28
Rot. Bonds6

About 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111521217) has the molecular formula C14H14F4N4O2 and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
PubChem CID111521217
Molecular FormulaC14H14F4N4O2
Molecular Weight346.28 g/mol
Exact Mass346.11
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1c(F)cccc1F)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C14H14F4N4O2/c15-9-2-1-3-10(16)13(9)11(23)5-19-14(24)21-8-4-20-22(6-8)7-12(17)18/h1-4,6,11-12,23H,5,7H2,(H2,19,21,24)
InChIKeyVJVBIUVEZBSXFY-UHFFFAOYSA-N
XLogP2.28
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide
CID 75387716
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111453473
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111578722
[4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamic acid
CID 123455199
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95899266
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926554
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea (CID 111521217) is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1c(F)cccc1F)Nc1cnn(CC(F)F)c1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is VJVBIUVEZBSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O2/c15-9-2-1-3-10(16)13(9)11(23)5-19-14(24)21-8-4-20-22(6-8)7-12(17)18/h1-4,6,11-12,23H,5,7H2,(H2,19,21,24).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 346.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111521217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).