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

C16H18F2N4O2 — CID 136585643

IUPAC1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
SMILESCOc1nn(C)cc1NC(=O)NC1CC(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H18F2N4O2/c1-22-8-14(15(21-22)24-2)20-16(23)19-11-5-9(6-11)12-4-3-10(17)7-13(12)18/h3-4,7-9,11H,5-6H2,1-2H3,(H2,19,20,23)
InChIKeyBYLUZWLKYQFLJM-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.77
Rot. Bonds4

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

1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea (PubChem CID 136585643) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
PubChem CID136585643
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
SMILESCOc1nn(C)cc1NC(=O)NC1CC(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H18F2N4O2/c1-22-8-14(15(21-22)24-2)20-16(23)19-11-5-9(6-11)12-4-3-10(17)7-13(12)18/h3-4,7-9,11H,5-6H2,1-2H3,(H2,19,20,23)
InChIKeyBYLUZWLKYQFLJM-UHFFFAOYSA-N
XLogP2.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
CID 138025091
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025070
5-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 166371381
(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
CID 129452314
1-(1,3-dimethylpyrazol-4-yl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 126776076
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(2,4-difluorophenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564231
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
CID 154770335
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1-methyl-2-oxoquinolin-5-yl)urea
CID 66549649

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea (CID 136585643) is 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea is COc1nn(C)cc1NC(=O)NC1CC(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea?
The InChIKey is BYLUZWLKYQFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-22-8-14(15(21-22)24-2)20-16(23)19-11-5-9(6-11)12-4-3-10(17)7-13(12)18/h3-4,7-9,11H,5-6H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea?
1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea has a molecular weight of 336.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 136585643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).