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

C13H18F2N4O — CID 169169403

IUPAC[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(N)=O
InChIInChI=1S/C13H18F2N4O/c1-19-11(17-12(16)20)9(7-3-2-4-7)10(18-19)8-5-13(14,15)6-8/h7-8H,2-6H2,1H3,(H3,16,17,20)
InChIKeyHTCPJVFLQDOBCX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.69
Rot. Bonds3

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

[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea (PubChem CID 169169403) has the molecular formula C13H18F2N4O and a molecular weight of 284.31 g/mol. Its IUPAC name is [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea.

Molecular Properties

Compound Name[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea
PubChem CID169169403
Molecular FormulaC13H18F2N4O
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(N)=O
InChIInChI=1S/C13H18F2N4O/c1-19-11(17-12(16)20)9(7-3-2-4-7)10(18-19)8-5-13(14,15)6-8/h7-8H,2-6H2,1H3,(H3,16,17,20)
InChIKeyHTCPJVFLQDOBCX-UHFFFAOYSA-N
XLogP2.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea?
The IUPAC name of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea (CID 169169403) is [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea.
What is the SMILES notation for [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea?
The canonical SMILES for [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea is 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?
The InChIKey is HTCPJVFLQDOBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O/c1-19-11(17-12(16)20)9(7-3-2-4-7)10(18-19)8-5-13(14,15)6-8/h7-8H,2-6H2,1H3,(H3,16,17,20).
What are the key properties of [4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea?
[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]urea has a molecular weight of 284.31 g/mol, XLogP of 2.69, 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 is sourced from PubChem (CID 169169403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).