1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone

C9H13N3O — CID 65360261

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone
SMILESCn1ncc(C(=O)CC2CC2)c1N
InChIInChI=1S/C9H13N3O/c1-12-9(10)7(5-11-12)8(13)4-6-2-3-6/h5-6H,2-4,10H2,1H3
InChIKeyWUPZXAREHIIXIQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.99
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone

1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone (PubChem CID 65360261) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone
PubChem CID65360261
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone
SMILESCn1ncc(C(=O)CC2CC2)c1N
InChIInChI=1S/C9H13N3O/c1-12-9(10)7(5-11-12)8(13)4-6-2-3-6/h5-6H,2-4,10H2,1H3
InChIKeyWUPZXAREHIIXIQ-UHFFFAOYSA-N
XLogP0.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.99
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)-2-cyclopropylethanone?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone (CID 65360261) is 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone is Cn1ncc(C(=O)CC2CC2)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone?
The InChIKey is WUPZXAREHIIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-9(10)7(5-11-12)8(13)4-6-2-3-6/h5-6H,2-4,10H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone?
1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone has a molecular weight of 179.22 g/mol, XLogP of 0.99, 3 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)-2-cyclopropylethanone is sourced from PubChem (CID 65360261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).