3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine

C14H20N4O — CID 106104073

IUPAC3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
SMILESCCOc1cccc(NCCc2ccn(C)n2)c1N
InChIInChI=1S/C14H20N4O/c1-3-19-13-6-4-5-12(14(13)15)16-9-7-11-8-10-18(2)17-11/h4-6,8,10,16H,3,7,9,15H2,1-2H3
InChIKeyXMMXJODWUAAABU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds6

About 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine

3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine (PubChem CID 106104073) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
PubChem CID106104073
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
SMILESCCOc1cccc(NCCc2ccn(C)n2)c1N
InChIInChI=1S/C14H20N4O/c1-3-19-13-6-4-5-12(14(13)15)16-9-7-11-8-10-18(2)17-11/h4-6,8,10,16H,3,7,9,15H2,1-2H3
InChIKeyXMMXJODWUAAABU-UHFFFAOYSA-N
XLogP2.06
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104724
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 106104004
6-ethoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106104031
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 106105497
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
2-(2-amino-3-ethoxyanilino)ethylurea
CID 113392780
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 114143992
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
ethyl 3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoate
CID 106106238
2-ethylsulfanyl-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106105144

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine (CID 106104073) is 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine is CCOc1cccc(NCCc2ccn(C)n2)c1N.
What is the InChIKey of 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
The InChIKey is XMMXJODWUAAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-19-13-6-4-5-12(14(13)15)16-9-7-11-8-10-18(2)17-11/h4-6,8,10,16H,3,7,9,15H2,1-2H3.
What are the key properties of 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106104073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).