5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

C10H15N3O2 — CID 110600681

IUPAC5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESCC1CCCN(C(=O)c2cc(=O)[nH][nH]2)C1
InChIInChI=1S/C10H15N3O2/c1-7-3-2-4-13(6-7)10(15)8-5-9(14)12-11-8/h5,7H,2-4,6H2,1H3,(H2,11,12,14)
InChIKeyCYMQUTWJKCTKQO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.58
Rot. Bonds1

About 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 110600681) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID110600681
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESCC1CCCN(C(=O)c2cc(=O)[nH][nH]2)C1
InChIInChI=1S/C10H15N3O2/c1-7-3-2-4-13(6-7)10(15)8-5-9(14)12-11-8/h5,7H,2-4,6H2,1H3,(H2,11,12,14)
InChIKeyCYMQUTWJKCTKQO-UHFFFAOYSA-N
XLogP0.58
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 110600681) is 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is CC1CCCN(C(=O)c2cc(=O)[nH][nH]2)C1.
What is the InChIKey of 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is CYMQUTWJKCTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-3-2-4-13(6-7)10(15)8-5-9(14)12-11-8/h5,7H,2-4,6H2,1H3,(H2,11,12,14).
What are the key properties of 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 110600681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).