1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone

C9H13N3O — CID 83828020

IUPAC1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C9H13N3O/c1-10-5-9(13)8-4-7(11-12-8)6-2-3-6/h4,6,10H,2-3,5H2,1H3,(H,11,12)
InChIKeyHIJLBMWMFKDFLZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.69
Rot. Bonds4

About 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone

1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone (PubChem CID 83828020) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone
PubChem CID83828020
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C9H13N3O/c1-10-5-9(13)8-4-7(11-12-8)6-2-3-6/h4,6,10H,2-3,5H2,1H3,(H,11,12)
InChIKeyHIJLBMWMFKDFLZ-UHFFFAOYSA-N
XLogP0.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone (CID 83828020) is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone?
The InChIKey is HIJLBMWMFKDFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-10-5-9(13)8-4-7(11-12-8)6-2-3-6/h4,6,10H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone?
1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 83828020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).