(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

C15H18N4O — CID 110462510

IUPAC(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(n3cccn3)CC2)n1
InChIInChI=1S/C15H18N4O/c1-12-4-2-5-14(17-12)15(20)18-10-6-13(7-11-18)19-9-3-8-16-19/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyWFSVATFEFXBVCO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.06
Rot. Bonds2

About (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 110462510) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID110462510
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(n3cccn3)CC2)n1
InChIInChI=1S/C15H18N4O/c1-12-4-2-5-14(17-12)15(20)18-10-6-13(7-11-18)19-9-3-8-16-19/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyWFSVATFEFXBVCO-UHFFFAOYSA-N
XLogP2.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 110462510) is (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCC(n3cccn3)CC2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is WFSVATFEFXBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-4-2-5-14(17-12)15(20)18-10-6-13(7-11-18)19-9-3-8-16-19/h2-5,8-9,13H,6-7,10-11H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110462510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).