1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine

C16H24N4O — CID 61491656

IUPAC1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CNCCn2cccn2)N(C)C)c1
InChIInChI=1S/C16H24N4O/c1-19(2)16(14-6-4-7-15(12-14)21-3)13-17-9-11-20-10-5-8-18-20/h4-8,10,12,16-17H,9,11,13H2,1-3H3
InChIKeyVNMNFJKHMSYORM-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.78
Rot. Bonds8

About 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine

1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine (PubChem CID 61491656) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
PubChem CID61491656
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CNCCn2cccn2)N(C)C)c1
InChIInChI=1S/C16H24N4O/c1-19(2)16(14-6-4-7-15(12-14)21-3)13-17-9-11-20-10-5-8-18-20/h4-8,10,12,16-17H,9,11,13H2,1-3H3
InChIKeyVNMNFJKHMSYORM-UHFFFAOYSA-N
XLogP1.78
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 103605338
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
N'-but-3-ynyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 55210968
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851368
4-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylbutanenitrile
CID 65248514
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 103605370

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine (CID 61491656) is 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine is COc1cccc(C(CNCCn2cccn2)N(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The InChIKey is VNMNFJKHMSYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)16(14-6-4-7-15(12-14)21-3)13-17-9-11-20-10-5-8-18-20/h4-8,10,12,16-17H,9,11,13H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 61491656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).