(1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone

C15H19N5O — CID 110257149

IUPAC(1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(Cc3cnccn3)C2)cn1
InChIInChI=1S/C15H19N5O/c1-19-11-13(8-18-19)15(21)20-6-2-3-12(10-20)7-14-9-16-4-5-17-14/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyYWXHFVYYZAGLOI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.30
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110257149) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID110257149
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(Cc3cnccn3)C2)cn1
InChIInChI=1S/C15H19N5O/c1-19-11-13(8-18-19)15(21)20-6-2-3-12(10-20)7-14-9-16-4-5-17-14/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyYWXHFVYYZAGLOI-UHFFFAOYSA-N
XLogP1.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone (CID 110257149) is (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCC(Cc3cnccn3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YWXHFVYYZAGLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-11-13(8-18-19)15(21)20-6-2-3-12(10-20)7-14-9-16-4-5-17-14/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110257149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).