2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine

C15H19N3O — CID 42929040

IUPAC2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C15H19N3O/c1-13-11-17(9-10-19-13)12-14-3-5-15(6-4-14)18-8-2-7-16-18/h2-8,13H,9-12H2,1H3
InChIKeyYFSHIVQKOOAWDM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds3

About 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine

2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine (PubChem CID 42929040) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
PubChem CID42929040
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C15H19N3O/c1-13-11-17(9-10-19-13)12-14-3-5-15(6-4-14)18-8-2-7-16-18/h2-8,13H,9-12H2,1H3
InChIKeyYFSHIVQKOOAWDM-UHFFFAOYSA-N
XLogP2.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
1-p-Tolyl-1H-pyrazole
CID 809797
4-Pyrazol-1-YL-benzylamine
CID 2776483
1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile
CID 9587674
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
N,N-dimethyl-1-{4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]-1,4-oxazepan-6-yl}methanamine
CID 56891183
2-(4-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl) methyl) piperazin-1-yl)ethanol
CID 135659014
4-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2,3,5,6-tetrafluorobenzyl]morpholine
CID 664813
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
The IUPAC name of 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine (CID 42929040) is 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine.
What is the SMILES notation for 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
The canonical SMILES for 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine is CC1CN(Cc2ccc(-n3cccn3)cc2)CCO1.
What is the InChIKey of 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
The InChIKey is YFSHIVQKOOAWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-11-17(9-10-19-13)12-14-3-5-15(6-4-14)18-8-2-7-16-18/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine has a molecular weight of 257.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine is sourced from PubChem (CID 42929040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).