N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C18H26N4O — CID 5167963

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCCCN2CCOCC2)cc1
InChIInChI=1S/C18H26N4O/c1-15-3-5-16(6-4-15)18-17(14-20-21-18)13-19-7-2-8-22-9-11-23-12-10-22/h3-6,14,19H,2,7-13H2,1H3,(H,20,21)
InChIKeyNTEGSWXSKPDGQA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.20
Rot. Bonds7

About N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 5167963) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID5167963
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCCCN2CCOCC2)cc1
InChIInChI=1S/C18H26N4O/c1-15-3-5-16(6-4-15)18-17(14-20-21-18)13-19-7-2-8-22-9-11-23-12-10-22/h3-6,14,19H,2,7-13H2,1H3,(H,20,21)
InChIKeyNTEGSWXSKPDGQA-UHFFFAOYSA-N
XLogP2.20
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 78894809
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine
CID 131926386
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 119114881
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
CID 91873507
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 5167963) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(-c2[nH]ncc2CNCCCN2CCOCC2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is NTEGSWXSKPDGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15-3-5-16(6-4-15)18-17(14-20-21-18)13-19-7-2-8-22-9-11-23-12-10-22/h3-6,14,19H,2,7-13H2,1H3,(H,20,21).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 5167963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).