5-(methylaminomethyl)-1,2-dihydropyrazol-3-one

C5H9N3O — CID 20607212

IUPAC5-(methylaminomethyl)-1,2-dihydropyrazol-3-one
SMILESCNCc1cc(=O)[nH][nH]1
InChIInChI=1S/C5H9N3O/c1-6-3-4-2-5(9)8-7-4/h2,6H,3H2,1H3,(H2,7,8,9)
InChIKeyUNJHSAXDIOVDSM-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.58
Rot. Bonds2

About 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one

5-(methylaminomethyl)-1,2-dihydropyrazol-3-one (PubChem CID 20607212) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-1,2-dihydropyrazol-3-one
PubChem CID20607212
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-(methylaminomethyl)-1,2-dihydropyrazol-3-one
SMILESCNCc1cc(=O)[nH][nH]1
InChIInChI=1S/C5H9N3O/c1-6-3-4-2-5(9)8-7-4/h2,6H,3H2,1H3,(H2,7,8,9)
InChIKeyUNJHSAXDIOVDSM-UHFFFAOYSA-N
XLogP-0.58
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one (CID 20607212) is 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one is CNCc1cc(=O)[nH][nH]1.
What is the InChIKey of 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is UNJHSAXDIOVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-6-3-4-2-5(9)8-7-4/h2,6H,3H2,1H3,(H2,7,8,9).
What are the key properties of 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
5-(methylaminomethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 127.15 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 20607212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).