4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine

C14H20N4O2 — CID 103004508

IUPAC4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
SMILESCOc1cc(N)c(NCCc2ccnn2C)cc1OC
InChIInChI=1S/C14H20N4O2/c1-18-10(5-7-17-18)4-6-16-12-9-14(20-3)13(19-2)8-11(12)15/h5,7-9,16H,4,6,15H2,1-3H3
InChIKeyJSWKMLIIUSREJJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds6

About 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine

4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine (PubChem CID 103004508) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
PubChem CID103004508
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
SMILESCOc1cc(N)c(NCCc2ccnn2C)cc1OC
InChIInChI=1S/C14H20N4O2/c1-18-10(5-7-17-18)4-6-16-12-9-14(20-3)13(19-2)8-11(12)15/h5,7-9,16H,4,6,15H2,1-3H3
InChIKeyJSWKMLIIUSREJJ-UHFFFAOYSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000541
1-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 103004473
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 83007960
2-bromo-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001561
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
4,5-dimethoxy-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 83001770
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 103004438
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine (CID 103004508) is 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine is COc1cc(N)c(NCCc2ccnn2C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
The InChIKey is JSWKMLIIUSREJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18-10(5-7-17-18)4-6-16-12-9-14(20-3)13(19-2)8-11(12)15/h5,7-9,16H,4,6,15H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine?
4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine has a molecular weight of 276.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 103004508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).