1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine

C16H24N4O — CID 83090660

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(CN)c1cn(C)nc1C
InChIInChI=1S/C16H24N4O/c1-12-14(11-20(3)18-12)15(9-17)19(2)10-13-7-5-6-8-16(13)21-4/h5-8,11,15H,9-10,17H2,1-4H3
InChIKeyVJCUWLFOVCMNQP-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.87
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine

1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 83090660) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID83090660
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(CN)c1cn(C)nc1C
InChIInChI=1S/C16H24N4O/c1-12-14(11-20(3)18-12)15(9-17)19(2)10-13-7-5-6-8-16(13)21-4/h5-8,11,15H,9-10,17H2,1-4H3
InChIKeyVJCUWLFOVCMNQP-UHFFFAOYSA-N
XLogP1.87
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine 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-(1,3-dimethylpyrazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 83088744
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 102838629
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 79427944
3-amino-N-[(2-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61110803
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
CID 66428224
N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine
CID 83089088

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine (CID 83090660) is 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine is COc1ccccc1CN(C)C(CN)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is VJCUWLFOVCMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-14(11-20(3)18-12)15(9-17)19(2)10-13-7-5-6-8-16(13)21-4/h5-8,11,15H,9-10,17H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 83090660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).