2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine

C10H19N3O2 — CID 103131136

IUPAC2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCOC(OCC)C(N)c1ccn(C)n1
InChIInChI=1S/C10H19N3O2/c1-4-14-10(15-5-2)9(11)8-6-7-13(3)12-8/h6-7,9-10H,4-5,11H2,1-3H3
InChIKeySRJZXZDNRXZTDU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds6

About 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine

2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 103131136) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID103131136
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCOC(OCC)C(N)c1ccn(C)n1
InChIInChI=1S/C10H19N3O2/c1-4-14-10(15-5-2)9(11)8-6-7-13(3)12-8/h6-7,9-10H,4-5,11H2,1-3H3
InChIKeySRJZXZDNRXZTDU-UHFFFAOYSA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine (CID 103131136) is 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine is CCOC(OCC)C(N)c1ccn(C)n1.
What is the InChIKey of 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is SRJZXZDNRXZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-14-10(15-5-2)9(11)8-6-7-13(3)12-8/h6-7,9-10H,4-5,11H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine?
2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103131136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).