(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone

C14H17N5O — CID 95824432

IUPAC(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3cnccn3)CC2)n1
InChIInChI=1S/C14H17N5O/c1-18-7-4-12(17-18)14(20)19-8-2-11(3-9-19)13-10-15-5-6-16-13/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyAJAREKOJQAEIET-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone

(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone (PubChem CID 95824432) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
PubChem CID95824432
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3cnccn3)CC2)n1
InChIInChI=1S/C14H17N5O/c1-18-7-4-12(17-18)14(20)19-8-2-11(3-9-19)13-10-15-5-6-16-13/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyAJAREKOJQAEIET-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 175652301
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 127245007
(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091261
[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95828652
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171335788

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone (CID 95824432) is (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone is Cn1ccc(C(=O)N2CCC(c3cnccn3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The InChIKey is AJAREKOJQAEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-7-4-12(17-18)14(20)19-8-2-11(3-9-19)13-10-15-5-6-16-13/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 95824432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).