1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one

C11H19N3O — CID 65360329

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H19N3O/c1-4-5-8(2)6-10(15)9-7-13-14(3)11(9)12/h7-8H,4-6,12H2,1-3H3
InChIKeyYDFPGIXWQUFOEI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds5

About 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one

1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one (PubChem CID 65360329) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one
PubChem CID65360329
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H19N3O/c1-4-5-8(2)6-10(15)9-7-13-14(3)11(9)12/h7-8H,4-6,12H2,1-3H3
InChIKeyYDFPGIXWQUFOEI-UHFFFAOYSA-N
XLogP2.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one (CID 65360329) is 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one is CCCC(C)CC(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one?
The InChIKey is YDFPGIXWQUFOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-8(2)6-10(15)9-7-13-14(3)11(9)12/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one?
1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one has a molecular weight of 209.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one is sourced from PubChem (CID 65360329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).