[2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone

C15H18N4O2 — CID 56741181

IUPAC[2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESNCC1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1
InChIInChI=1S/C15H18N4O2/c16-10-14-11-18(7-8-21-14)15(20)12-3-1-4-13(9-12)19-6-2-5-17-19/h1-6,9,14H,7-8,10-11,16H2
InChIKeyXDDPMUKQLBGXQS-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.67
Rot. Bonds3

About [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone

[2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 56741181) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID56741181
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESNCC1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1
InChIInChI=1S/C15H18N4O2/c16-10-14-11-18(7-8-21-14)15(20)12-3-1-4-13(9-12)19-6-2-5-17-19/h1-6,9,14H,7-8,10-11,16H2
InChIKeyXDDPMUKQLBGXQS-UHFFFAOYSA-N
XLogP0.67
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 56741181) is [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone is NCC1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is XDDPMUKQLBGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-10-14-11-18(7-8-21-14)15(20)12-3-1-4-13(9-12)19-6-2-5-17-19/h1-6,9,14H,7-8,10-11,16H2.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone?
[2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 286.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 56741181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).