3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one

C9H15N3O — CID 116564365

IUPAC3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCCn1cc(C(=O)C(C)CN)cn1
InChIInChI=1S/C9H15N3O/c1-3-12-6-8(5-11-12)9(13)7(2)4-10/h5-7H,3-4,10H2,1-2H3
InChIKeyVBYSQQMCBFGKGQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one

3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one (PubChem CID 116564365) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
PubChem CID116564365
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCCn1cc(C(=O)C(C)CN)cn1
InChIInChI=1S/C9H15N3O/c1-3-12-6-8(5-11-12)9(13)7(2)4-10/h5-7H,3-4,10H2,1-2H3
InChIKeyVBYSQQMCBFGKGQ-UHFFFAOYSA-N
XLogP0.68
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-methylpentan-1-one
CID 114964401
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
CID 116549892
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802
3-methyl-4-oxo-4-(1-propylpyrazol-4-yl)butanenitrile
CID 103572527
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one (CID 116564365) is 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one is CCn1cc(C(=O)C(C)CN)cn1.
What is the InChIKey of 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
The InChIKey is VBYSQQMCBFGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-12-6-8(5-11-12)9(13)7(2)4-10/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 116564365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).