(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone

C16H19N3O — CID 169082716

IUPAC(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cc2ccccc2)[nH]n1)N1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(19-9-5-2-6-10-19)15-12-14(17-18-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,17,18)
InChIKeyWMSWINSONHEYJN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds3

About (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone

(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 169082716) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
PubChem CID169082716
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cc2ccccc2)[nH]n1)N1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(19-9-5-2-6-10-19)15-12-14(17-18-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,17,18)
InChIKeyWMSWINSONHEYJN-UHFFFAOYSA-N
XLogP2.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone (CID 169082716) is (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone is O=C(c1cc(Cc2ccccc2)[nH]n1)N1CCCCC1.
What is the InChIKey of (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is WMSWINSONHEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(19-9-5-2-6-10-19)15-12-14(17-18-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,17,18).
What are the key properties of (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 269.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 169082716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).