5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H30N4O2 — CID 82959710

IUPAC5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCOCCN(CCOCC)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C15H30N4O2/c1-6-20-10-8-18(9-11-21-7-2)15-14(16)13(5)17-19(15)12(3)4/h12H,6-11,16H2,1-5H3
InChIKeyIAFIWLASRPMNPA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.23
Rot. Bonds10

About 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 82959710) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID82959710
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCOCCN(CCOCC)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C15H30N4O2/c1-6-20-10-8-18(9-11-21-7-2)15-14(16)13(5)17-19(15)12(3)4/h12H,6-11,16H2,1-5H3
InChIKeyIAFIWLASRPMNPA-UHFFFAOYSA-N
XLogP2.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 82959710) is 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCOCCN(CCOCC)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is IAFIWLASRPMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-6-20-10-8-18(9-11-21-7-2)15-14(16)13(5)17-19(15)12(3)4/h12H,6-11,16H2,1-5H3.
What are the key properties of 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 298.43 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 82959710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).