5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one

C10H17N3O — CID 129430821

IUPAC5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C[C@H]2CCCCN2)[nH]1
InChIInChI=1S/C10H17N3O/c1-8-6-10(14)13(12-8)7-9-4-2-3-5-11-9/h6,9,11-12H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyUFPLHVWCYNJASF-SECBINFHSA-N
MW195.27 g/mol
LogP0.63
Rot. Bonds2

About 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one

5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one (PubChem CID 129430821) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one
PubChem CID129430821
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C[C@H]2CCCCN2)[nH]1
InChIInChI=1S/C10H17N3O/c1-8-6-10(14)13(12-8)7-9-4-2-3-5-11-9/h6,9,11-12H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyUFPLHVWCYNJASF-SECBINFHSA-N
XLogP0.63
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one (CID 129430821) is 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one is Cc1cc(=O)n(C[C@H]2CCCCN2)[nH]1.
What is the InChIKey of 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one?
The InChIKey is UFPLHVWCYNJASF-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-6-10(14)13(12-8)7-9-4-2-3-5-11-9/h6,9,11-12H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one?
5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazol-3-one is sourced from PubChem (CID 129430821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).