3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea

C15H26N4OS — CID 84596053

IUPAC3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea
SMILESCCC(CSC)N(C)C(=O)Nc1cc(C2CCC2)nn1C
InChIInChI=1S/C15H26N4OS/c1-5-12(10-21-4)18(2)15(20)16-14-9-13(17-19(14)3)11-7-6-8-11/h9,11-12H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyRHTAMPUKBICZAC-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.29
Rot. Bonds6

About 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea

3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea (PubChem CID 84596053) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea.

Molecular Properties

Compound Name3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea
PubChem CID84596053
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea
SMILESCCC(CSC)N(C)C(=O)Nc1cc(C2CCC2)nn1C
InChIInChI=1S/C15H26N4OS/c1-5-12(10-21-4)18(2)15(20)16-14-9-13(17-19(14)3)11-7-6-8-11/h9,11-12H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyRHTAMPUKBICZAC-UHFFFAOYSA-N
XLogP3.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea?
The IUPAC name of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea (CID 84596053) is 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea.
What is the SMILES notation for 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea?
The canonical SMILES for 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea is CCC(CSC)N(C)C(=O)Nc1cc(C2CCC2)nn1C.
What is the InChIKey of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea?
The InChIKey is RHTAMPUKBICZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-12(10-21-4)18(2)15(20)16-14-9-13(17-19(14)3)11-7-6-8-11/h9,11-12H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea?
3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea has a molecular weight of 310.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-methyl-1-(1-methylsulfanylbutan-2-yl)urea is sourced from PubChem (CID 84596053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).