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

C9H18N4O2 — CID 103078331

IUPAC3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
SMILESCOCCOCCNc1nn(C)cc1N
InChIInChI=1S/C9H18N4O2/c1-13-7-8(10)9(12-13)11-3-4-15-6-5-14-2/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyIRLGFFZSMQQEAZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.08
Rot. Bonds7

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

3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine (PubChem CID 103078331) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
PubChem CID103078331
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
SMILESCOCCOCCNc1nn(C)cc1N
InChIInChI=1S/C9H18N4O2/c1-13-7-8(10)9(12-13)11-3-4-15-6-5-14-2/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyIRLGFFZSMQQEAZ-UHFFFAOYSA-N
XLogP0.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
CID 164654726
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 104564300
3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
CID 103078594
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066
N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
CID 79778277
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
1-methyl-3-N-(3-methylsulfinylbutyl)pyrazole-3,4-diamine
CID 103078897
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine (CID 103078331) is 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine is COCCOCCNc1nn(C)cc1N.
What is the InChIKey of 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine?
The InChIKey is IRLGFFZSMQQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-13-7-8(10)9(12-13)11-3-4-15-6-5-14-2/h7H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine?
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).