[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone

C15H19N5O2 — CID 126826218

IUPAC[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1cncc(N2CCN(C(=O)c3ccn(C)n3)CC2)c1
InChIInChI=1S/C15H19N5O2/c1-18-4-3-14(17-18)15(21)20-7-5-19(6-8-20)12-9-13(22-2)11-16-10-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyUYRRYDXNJXCGIA-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.79
Rot. Bonds3

About [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone

[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 126826218) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID126826218
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1cncc(N2CCN(C(=O)c3ccn(C)n3)CC2)c1
InChIInChI=1S/C15H19N5O2/c1-18-4-3-14(17-18)15(21)20-7-5-19(6-8-20)12-9-13(22-2)11-16-10-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyUYRRYDXNJXCGIA-UHFFFAOYSA-N
XLogP0.79
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 172900503
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(4-ethoxyphenyl)-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 136558450
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone
CID 136558459
[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 25284725
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 126826218) is [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone is COc1cncc(N2CCN(C(=O)c3ccn(C)n3)CC2)c1.
What is the InChIKey of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is UYRRYDXNJXCGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18-4-3-14(17-18)15(21)20-7-5-19(6-8-20)12-9-13(22-2)11-16-10-12/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 126826218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).