[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane

C16H26F2N4O — CID 169169402

IUPAC[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane
SMILESCCC.Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(N)=O
InChIInChI=1S/C13H18F2N4O.C3H8/c1-19-11(17-12(16)20)9(7-3-2-4-7)10(18-19)8-5-13(14,15)6-8;1-3-2/h7-8H,2-6H2,1H3,(H3,16,17,20);3H2,1-2H3
InChIKeyOKQMMNUMZWENCG-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.11
Rot. Bonds3

About [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane

[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane (PubChem CID 169169402) has the molecular formula C16H26F2N4O and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane.

Molecular Properties

Compound Name[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane
PubChem CID169169402
Molecular FormulaC16H26F2N4O
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane
SMILESCCC.Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(N)=O
InChIInChI=1S/C13H18F2N4O.C3H8/c1-19-11(17-12(16)20)9(7-3-2-4-7)10(18-19)8-5-13(14,15)6-8;1-3-2/h7-8H,2-6H2,1H3,(H3,16,17,20);3H2,1-2H3
InChIKeyOKQMMNUMZWENCG-UHFFFAOYSA-N
XLogP4.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butyl)-3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 169169260
cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169263
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169265
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
4-Cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
CID 169169270
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
CID 169169283
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169291
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 169169293
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294
[(1S)-1-cyclopropylethyl] N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169299

Frequently Asked Questions

What is the IUPAC name of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane?
The IUPAC name of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane (CID 169169402) is [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane.
What is the SMILES notation for [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane?
The canonical SMILES for [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane is CCC.Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(N)=O.
What is the InChIKey of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane?
The InChIKey is OKQMMNUMZWENCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O.C3H8/c1-19-11(17-12(16)20)9(7-3-2-4-7)10(18-19)8-5-13(14,15)6-8;1-3-2/h7-8H,2-6H2,1H3,(H3,16,17,20);3H2,1-2H3.
What are the key properties of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane?
[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane has a molecular weight of 328.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea;propane is sourced from PubChem (CID 169169402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).