5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine

C13H26N4O — CID 66019463

IUPAC5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCCOCCNc1c(N)c(CCC)nn1C
InChIInChI=1S/C13H26N4O/c1-4-6-9-18-10-8-15-13-12(14)11(7-5-2)16-17(13)3/h15H,4-10,14H2,1-3H3
InChIKeyDZPNRLQWNVWXSD-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.18
Rot. Bonds9

About 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019463) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66019463
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCCOCCNc1c(N)c(CCC)nn1C
InChIInChI=1S/C13H26N4O/c1-4-6-9-18-10-8-15-13-12(14)11(7-5-2)16-17(13)3/h15H,4-10,14H2,1-3H3
InChIKeyDZPNRLQWNVWXSD-UHFFFAOYSA-N
XLogP2.18
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66019463) is 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCCOCCNc1c(N)c(CCC)nn1C.
What is the InChIKey of 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is DZPNRLQWNVWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-6-9-18-10-8-15-13-12(14)11(7-5-2)16-17(13)3/h15H,4-10,14H2,1-3H3.
What are the key properties of 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).