3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine

C14H20N4O2 — CID 103077847

IUPAC3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
SMILESCOc1ccc(CCNc2nn(C)cc2N)cc1OC
InChIInChI=1S/C14H20N4O2/c1-18-9-11(15)14(17-18)16-7-6-10-4-5-12(19-2)13(8-10)20-3/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyQETURZZMPNXMIL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds6

About 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine

3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine (PubChem CID 103077847) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
PubChem CID103077847
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
SMILESCOc1ccc(CCNc2nn(C)cc2N)cc1OC
InChIInChI=1S/C14H20N4O2/c1-18-9-11(15)14(17-18)16-7-6-10-4-5-12(19-2)13(8-10)20-3/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyQETURZZMPNXMIL-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

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22541609
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541759
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
4-chloro-2-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115468478
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine (CID 103077847) is 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine is COc1ccc(CCNc2nn(C)cc2N)cc1OC.
What is the InChIKey of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine?
The InChIKey is QETURZZMPNXMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18-9-11(15)14(17-18)16-7-6-10-4-5-12(19-2)13(8-10)20-3/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine?
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-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 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103077847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).