4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one

C15H19N3O — CID 67461659

IUPAC4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C15H19N3O/c19-15-12(10-17-18-15)14(11-6-2-1-3-7-11)13-8-4-5-9-16-13/h1-3,6-7,10,13-14,16H,4-5,8-9H2,(H2,17,18,19)
InChIKeyLWHMZHSZHSBGLS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds3

About 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one

4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 67461659) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one
PubChem CID67461659
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C15H19N3O/c19-15-12(10-17-18-15)14(11-6-2-1-3-7-11)13-8-4-5-9-16-13/h1-3,6-7,10,13-14,16H,4-5,8-9H2,(H2,17,18,19)
InChIKeyLWHMZHSZHSBGLS-UHFFFAOYSA-N
XLogP1.98
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one (CID 67461659) is 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one is O=c1[nH][nH]cc1C(c1ccccc1)C1CCCCN1.
What is the InChIKey of 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is LWHMZHSZHSBGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-12(10-17-18-15)14(11-6-2-1-3-7-11)13-8-4-5-9-16-13/h1-3,6-7,10,13-14,16H,4-5,8-9H2,(H2,17,18,19).
What are the key properties of 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl(piperidin-2-yl)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 67461659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).