(1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C16H21N5O — CID 110270947

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCCN(C(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-17-8-15(18-11)13-5-4-6-21(9-13)16(22)14-10-20(3)19-12(14)2/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyUWWLUDFGNHPMLX-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.85
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 110270947) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID110270947
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCCN(C(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-17-8-15(18-11)13-5-4-6-21(9-13)16(22)14-10-20(3)19-12(14)2/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyUWWLUDFGNHPMLX-UHFFFAOYSA-N
XLogP1.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 110270947) is (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc(C2CCCN(C(=O)c3cn(C)nc3C)C2)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is UWWLUDFGNHPMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-17-8-15(18-11)13-5-4-6-21(9-13)16(22)14-10-20(3)19-12(14)2/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110270947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).