(2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone

C15H18N4O2 — CID 102604310

IUPAC(2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone
SMILESCn1nccc1C(=O)N1CCOC(Cc2cccnc2)C1
InChIInChI=1S/C15H18N4O2/c1-18-14(4-6-17-18)15(20)19-7-8-21-13(11-19)9-12-3-2-5-16-10-12/h2-6,10,13H,7-9,11H2,1H3
InChIKeyZEYLUWFFIGCQFS-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.90
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone

(2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone (PubChem CID 102604310) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone
PubChem CID102604310
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone
SMILESCn1nccc1C(=O)N1CCOC(Cc2cccnc2)C1
InChIInChI=1S/C15H18N4O2/c1-18-14(4-6-17-18)15(20)19-7-8-21-13(11-19)9-12-3-2-5-16-10-12/h2-6,10,13H,7-9,11H2,1H3
InChIKeyZEYLUWFFIGCQFS-UHFFFAOYSA-N
XLogP0.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone (CID 102604310) is (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone is Cn1nccc1C(=O)N1CCOC(Cc2cccnc2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is ZEYLUWFFIGCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-14(4-6-17-18)15(20)19-7-8-21-13(11-19)9-12-3-2-5-16-10-12/h2-6,10,13H,7-9,11H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone?
(2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 286.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 102604310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).