1-butyl-3-methoxypyrazole-4,5-diamine

C8H16N4O — CID 66769866

IUPAC1-butyl-3-methoxypyrazole-4,5-diamine
SMILESCCCCn1nc(OC)c(N)c1N
InChIInChI=1S/C8H16N4O/c1-3-4-5-12-7(10)6(9)8(11-12)13-2/h3-5,9-10H2,1-2H3
InChIKeyGROFUIOUSNFLNE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.86
Rot. Bonds4

About 1-butyl-3-methoxypyrazole-4,5-diamine

1-butyl-3-methoxypyrazole-4,5-diamine (PubChem CID 66769866) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-butyl-3-methoxypyrazole-4,5-diamine.

Molecular Properties

Compound Name1-butyl-3-methoxypyrazole-4,5-diamine
PubChem CID66769866
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-butyl-3-methoxypyrazole-4,5-diamine
SMILESCCCCn1nc(OC)c(N)c1N
InChIInChI=1S/C8H16N4O/c1-3-4-5-12-7(10)6(9)8(11-12)13-2/h3-5,9-10H2,1-2H3
InChIKeyGROFUIOUSNFLNE-UHFFFAOYSA-N
XLogP0.86
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methoxypyrazole-4,5-diamine?
The IUPAC name of 1-butyl-3-methoxypyrazole-4,5-diamine (CID 66769866) is 1-butyl-3-methoxypyrazole-4,5-diamine.
What is the SMILES notation for 1-butyl-3-methoxypyrazole-4,5-diamine?
The canonical SMILES for 1-butyl-3-methoxypyrazole-4,5-diamine is CCCCn1nc(OC)c(N)c1N.
What is the InChIKey of 1-butyl-3-methoxypyrazole-4,5-diamine?
The InChIKey is GROFUIOUSNFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-4-5-12-7(10)6(9)8(11-12)13-2/h3-5,9-10H2,1-2H3.
What are the key properties of 1-butyl-3-methoxypyrazole-4,5-diamine?
1-butyl-3-methoxypyrazole-4,5-diamine has a molecular weight of 184.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methoxypyrazole-4,5-diamine is sourced from PubChem (CID 66769866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).