1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

C16H22N4O — CID 78942793

IUPAC1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCN1CCOC(CNCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H22N4O/c1-19-7-8-21-16(13-19)11-17-9-14-10-18-20(12-14)15-5-3-2-4-6-15/h2-6,10,12,16-17H,7-9,11,13H2,1H3
InChIKeyUXBRAOFWJWOBNY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.29
Rot. Bonds5

About 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 78942793) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID78942793
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCN1CCOC(CNCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H22N4O/c1-19-7-8-21-16(13-19)11-17-9-14-10-18-20(12-14)15-5-3-2-4-6-15/h2-6,10,12,16-17H,7-9,11,13H2,1H3
InChIKeyUXBRAOFWJWOBNY-UHFFFAOYSA-N
XLogP1.29
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
CID 95339003
3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270639
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 78943185
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
CID 78942834
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (CID 78942793) is 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is CN1CCOC(CNCc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is UXBRAOFWJWOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-7-8-21-16(13-19)11-17-9-14-10-18-20(12-14)15-5-3-2-4-6-15/h2-6,10,12,16-17H,7-9,11,13H2,1H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 78942793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).