1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone

C8H13N3O2 — CID 82407218

IUPAC1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone
SMILESCNCC(O)c1cc(C(C)=O)n[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(12)6-3-7(11-10-6)8(13)4-9-2/h3,8-9,13H,4H2,1-2H3,(H,10,11)
InChIKeyGWSKECIRPIQPPS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.13
Rot. Bonds4

About 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone

1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone (PubChem CID 82407218) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone
PubChem CID82407218
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone
SMILESCNCC(O)c1cc(C(C)=O)n[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(12)6-3-7(11-10-6)8(13)4-9-2/h3,8-9,13H,4H2,1-2H3,(H,10,11)
InChIKeyGWSKECIRPIQPPS-UHFFFAOYSA-N
XLogP-0.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone (CID 82407218) is 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone is CNCC(O)c1cc(C(C)=O)n[nH]1.
What is the InChIKey of 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone?
The InChIKey is GWSKECIRPIQPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(12)6-3-7(11-10-6)8(13)4-9-2/h3,8-9,13H,4H2,1-2H3,(H,10,11).
What are the key properties of 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone?
1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone has a molecular weight of 183.21 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-hydroxy-2-(methylamino)ethyl]-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 82407218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).