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'}

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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).