1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one

C9H15N3O — CID 110460709

IUPAC1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
SMILESCc1cc(N)n(C(=O)C(C)(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6-5-7(10)12(11-6)8(13)9(2,3)4/h5H,10H2,1-4H3
InChIKeyWCOQGHLRSMYGNI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.46
Rot. Bonds

About 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one

1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 110460709) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
PubChem CID110460709
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
SMILESCc1cc(N)n(C(=O)C(C)(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6-5-7(10)12(11-6)8(13)9(2,3)4/h5H,10H2,1-4H3
InChIKeyWCOQGHLRSMYGNI-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one (CID 110460709) is 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one is Cc1cc(N)n(C(=O)C(C)(C)C)n1.
What is the InChIKey of 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WCOQGHLRSMYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-5-7(10)12(11-6)8(13)9(2,3)4/h5H,10H2,1-4H3.
What are the key properties of 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one?
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 181.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110460709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).