3-amino-1-(1-methylpyrazol-4-yl)propan-1-one

C7H11N3O — CID 82416925

IUPAC3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(C(=O)CCN)cn1
InChIInChI=1S/C7H11N3O/c1-10-5-6(4-9-10)7(11)2-3-8/h4-5H,2-3,8H2,1H3
InChIKeyLDCZFWTVSLOFKA-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.05
Rot. Bonds3

About 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one

3-amino-1-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 82416925) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID82416925
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(C(=O)CCN)cn1
InChIInChI=1S/C7H11N3O/c1-10-5-6(4-9-10)7(11)2-3-8/h4-5H,2-3,8H2,1H3
InChIKeyLDCZFWTVSLOFKA-UHFFFAOYSA-N
XLogP-0.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-methylsulfanylpropan-1-one
CID 105082349
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
3-amino-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116580990
1-(1-methylpyrazol-4-yl)-3-propoxypropan-1-one
CID 105082295
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195914
[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone
CID 116600837
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
[2-(2-aminoethyl)phenyl]-(1-methylpyrazol-4-yl)methanone
CID 116577364
1-methylpyrazole-4-carboxylate
CID 6979031

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one (CID 82416925) is 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(C(=O)CCN)cn1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is LDCZFWTVSLOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-5-6(4-9-10)7(11)2-3-8/h4-5H,2-3,8H2,1H3.
What are the key properties of 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one?
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 153.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 82416925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).