1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea

C14H16F2N4O2 — CID 111750934

IUPAC1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea
SMILESCC(NC(=O)Nc1ccn(C)n1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4O2/c1-8(13(21)9-3-4-10(15)11(16)7-9)17-14(22)18-12-5-6-20(2)19-12/h3-8,13,21H,1-2H3,(H2,17,18,19,22)
InChIKeyGOXHOQGMJROKKT-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.94
Rot. Bonds4

About 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea

1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 111750934) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID111750934
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea
SMILESCC(NC(=O)Nc1ccn(C)n1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4O2/c1-8(13(21)9-3-4-10(15)11(16)7-9)17-14(22)18-12-5-6-20(2)19-12/h3-8,13,21H,1-2H3,(H2,17,18,19,22)
InChIKeyGOXHOQGMJROKKT-UHFFFAOYSA-N
XLogP1.94
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 78834721
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 111750886
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111751041
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111751108
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 111751026
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
CID 111751065
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 95336400
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 167784255
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344
1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
CID 109482192

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea (CID 111750934) is 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea is CC(NC(=O)Nc1ccn(C)n1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is GOXHOQGMJROKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-8(13(21)9-3-4-10(15)11(16)7-9)17-14(22)18-12-5-6-20(2)19-12/h3-8,13,21H,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea?
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 310.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 111750934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).