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

C8H13N3O2 — CID 82601683

IUPAC3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one
SMILESCOc1nn(C)cc1C(=O)CCN
InChIInChI=1S/C8H13N3O2/c1-11-5-6(7(12)3-4-9)8(10-11)13-2/h5H,3-4,9H2,1-2H3
InChIKeyWMCIDQMXBYNQIR-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.04
Rot. Bonds4

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

3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one (PubChem CID 82601683) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one
PubChem CID82601683
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one
SMILESCOc1nn(C)cc1C(=O)CCN
InChIInChI=1S/C8H13N3O2/c1-11-5-6(7(12)3-4-9)8(10-11)13-2/h5H,3-4,9H2,1-2H3
InChIKeyWMCIDQMXBYNQIR-UHFFFAOYSA-N
XLogP-0.04
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one (CID 82601683) is 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one is COc1nn(C)cc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is WMCIDQMXBYNQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-5-6(7(12)3-4-9)8(10-11)13-2/h5H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one?
3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 82601683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).