N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C14H20N4O — CID 115291259

IUPACN'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOc1cccc(N(C)CC(N)c2cnn(C)c2)c1
InChIInChI=1S/C14H20N4O/c1-17(12-5-4-6-13(7-12)19-3)10-14(15)11-8-16-18(2)9-11/h4-9,14H,10,15H2,1-3H3
InChIKeyOAYMUSUTJKLHJY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.56
Rot. Bonds5

About N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291259) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291259
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOc1cccc(N(C)CC(N)c2cnn(C)c2)c1
InChIInChI=1S/C14H20N4O/c1-17(12-5-4-6-13(7-12)19-3)10-14(15)11-8-16-18(2)9-11/h4-9,14H,10,15H2,1-3H3
InChIKeyOAYMUSUTJKLHJY-UHFFFAOYSA-N
XLogP1.56
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-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

(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62004171
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291259) is N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is COc1cccc(N(C)CC(N)c2cnn(C)c2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is OAYMUSUTJKLHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(12-5-4-6-13(7-12)19-3)10-14(15)11-8-16-18(2)9-11/h4-9,14H,10,15H2,1-3H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).