2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine

C24H30N4O — CID 78894839

IUPAC2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCC(c2ccc(C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H30N4O/c1-18-3-7-20(8-4-18)23(28-11-13-29-14-12-28)17-25-15-22-16-26-27-24(22)21-9-5-19(2)6-10-21/h3-10,16,23,25H,11-15,17H2,1-2H3,(H,26,27)
InChIKeyAJUKHOZTFUTTGJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.86
Rot. Bonds7

About 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine

2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 78894839) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID78894839
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCC(c2ccc(C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H30N4O/c1-18-3-7-20(8-4-18)23(28-11-13-29-14-12-28)17-25-15-22-16-26-27-24(22)21-9-5-19(2)6-10-21/h3-10,16,23,25H,11-15,17H2,1-2H3,(H,26,27)
InChIKeyAJUKHOZTFUTTGJ-UHFFFAOYSA-N
XLogP3.86
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95145763
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090
4-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 86808085
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine
CID 45220015
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110534
2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
CID 4213258
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine (CID 78894839) is 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine is Cc1ccc(-c2[nH]ncc2CNCC(c2ccc(C)cc2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is AJUKHOZTFUTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-3-7-20(8-4-18)23(28-11-13-29-14-12-28)17-25-15-22-16-26-27-24(22)21-9-5-19(2)6-10-21/h3-10,16,23,25H,11-15,17H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 390.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 78894839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).