N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine

C19H28N4O — CID 91764333

IUPACN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1cc(-n2cccn2)ccc1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C19H28N4O/c1-16-13-19(23-8-4-7-20-23)6-5-18(16)15-21(3)14-17(2)22-9-11-24-12-10-22/h4-8,13,17H,9-12,14-15H2,1-3H3
InChIKeyHNJGWKAVOXMKOY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.33
Rot. Bonds6

About N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine

N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 91764333) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID91764333
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1cc(-n2cccn2)ccc1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C19H28N4O/c1-16-13-19(23-8-4-7-20-23)6-5-18(16)15-21(3)14-17(2)22-9-11-24-12-10-22/h4-8,13,17H,9-12,14-15H2,1-3H3
InChIKeyHNJGWKAVOXMKOY-UHFFFAOYSA-N
XLogP2.33
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine (CID 91764333) is N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine is Cc1cc(-n2cccn2)ccc1CN(C)CC(C)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is HNJGWKAVOXMKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16-13-19(23-8-4-7-20-23)6-5-18(16)15-21(3)14-17(2)22-9-11-24-12-10-22/h4-8,13,17H,9-12,14-15H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 91764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).