N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine

C16H22N4O — CID 84615184

IUPACN-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
SMILESCNCc1cn(-c2ccc(N3CCOCC3)cc2)nc1C
InChIInChI=1S/C16H22N4O/c1-13-14(11-17-2)12-20(18-13)16-5-3-15(4-6-16)19-7-9-21-10-8-19/h3-6,12,17H,7-11H2,1-2H3
InChIKeyKOGCBVAYIHARHQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine

N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine (PubChem CID 84615184) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
PubChem CID84615184
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
SMILESCNCc1cn(-c2ccc(N3CCOCC3)cc2)nc1C
InChIInChI=1S/C16H22N4O/c1-13-14(11-17-2)12-20(18-13)16-5-3-15(4-6-16)19-7-9-21-10-8-19/h3-6,12,17H,7-11H2,1-2H3
InChIKeyKOGCBVAYIHARHQ-UHFFFAOYSA-N
XLogP1.74
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
CID 84615161
N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
CID 84615113
N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
CID 75388335
3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde
CID 84617613
1-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84615124
3-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]benzoic acid
CID 84615132
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
5-(methylaminomethyl)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106960840
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine (CID 84615184) is N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine is CNCc1cn(-c2ccc(N3CCOCC3)cc2)nc1C.
What is the InChIKey of N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is KOGCBVAYIHARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-14(11-17-2)12-20(18-13)16-5-3-15(4-6-16)19-7-9-21-10-8-19/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine?
N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 84615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).