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

C19H28N4O — CID 78881517

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCCCCN2CCOCC2)cc1
InChIInChI=1S/C19H28N4O/c1-16-4-6-17(7-5-16)19-18(15-21-22-19)14-20-8-2-3-9-23-10-12-24-13-11-23/h4-7,15,20H,2-3,8-14H2,1H3,(H,21,22)
InChIKeyHVVWNDYLUOVLBV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.59
Rot. Bonds8

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

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine (PubChem CID 78881517) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
PubChem CID78881517
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCCCCN2CCOCC2)cc1
InChIInChI=1S/C19H28N4O/c1-16-4-6-17(7-5-16)19-18(15-21-22-19)14-20-8-2-3-9-23-10-12-24-13-11-23/h4-7,15,20H,2-3,8-14H2,1H3,(H,21,22)
InChIKeyHVVWNDYLUOVLBV-UHFFFAOYSA-N
XLogP2.59
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
1-(5-p-Tolyl-1H-pyrazol-4-ylmethyl)-piperidine-4-carboxylic acid ethyl ester
CID 645562
2-{[5-(3,4-Dimethyl-phenyl)-1H-pyrazol-4-ylmethyl]-ethyl-amino}-ethanol
CID 648723
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188712
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190754
1-(3-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}propyl)piperidine-3-carboxamide
CID 16191459
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
ethyl 4-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 16188466
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190169
1-[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}methanamine
CID 16190705

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine (CID 78881517) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine is Cc1ccc(-c2[nH]ncc2CNCCCCN2CCOCC2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine?
The InChIKey is HVVWNDYLUOVLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16-4-6-17(7-5-16)19-18(15-21-22-19)14-20-8-2-3-9-23-10-12-24-13-11-23/h4-7,15,20H,2-3,8-14H2,1H3,(H,21,22).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 2.59, 8 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]-4-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 78881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).