1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine

C11H23N3O — CID 143811987

IUPAC1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine
SMILESCC.CN1CCCCC1.O=c1cc[nH][nH]1
InChIInChI=1S/C6H13N.C3H4N2O.C2H6/c1-7-5-3-2-4-6-7;6-3-1-2-4-5-3;1-2/h2-6H2,1H3;1-2H,(H2,4,5,6);1-2H3
InChIKeyCCOATDOJDQBUIM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.83
Rot. Bonds

About 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine

1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine (PubChem CID 143811987) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine.

Molecular Properties

Compound Name1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine
PubChem CID143811987
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine
SMILESCC.CN1CCCCC1.O=c1cc[nH][nH]1
InChIInChI=1S/C6H13N.C3H4N2O.C2H6/c1-7-5-3-2-4-6-7;6-3-1-2-4-5-3;1-2/h2-6H2,1H3;1-2H,(H2,4,5,6);1-2H3
InChIKeyCCOATDOJDQBUIM-UHFFFAOYSA-N
XLogP1.83
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine?
The IUPAC name of 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine (CID 143811987) is 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine.
What is the SMILES notation for 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine?
The canonical SMILES for 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine is CC.CN1CCCCC1.O=c1cc[nH][nH]1.
What is the InChIKey of 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine?
The InChIKey is CCOATDOJDQBUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H4N2O.C2H6/c1-7-5-3-2-4-6-7;6-3-1-2-4-5-3;1-2/h2-6H2,1H3;1-2H,(H2,4,5,6);1-2H3.
What are the key properties of 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine?
1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine has a molecular weight of 213.32 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrazol-3-one;ethane;1-methylpiperidine is sourced from PubChem (CID 143811987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).