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

C6H12N4O — CID 23298742

IUPAC1-ethyl-5-methoxypyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1OC
InChIInChI=1S/C6H12N4O/c1-3-10-6(11-2)4(7)5(8)9-10/h3,7H2,1-2H3,(H2,8,9)
InChIKeyNFAGQLJNDBXPSK-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.08
Rot. Bonds2

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

1-ethyl-5-methoxypyrazole-3,4-diamine (PubChem CID 23298742) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-ethyl-5-methoxypyrazole-3,4-diamine.

Molecular Properties

Compound Name1-ethyl-5-methoxypyrazole-3,4-diamine
PubChem CID23298742
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-ethyl-5-methoxypyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1OC
InChIInChI=1S/C6H12N4O/c1-3-10-6(11-2)4(7)5(8)9-10/h3,7H2,1-2H3,(H2,8,9)
InChIKeyNFAGQLJNDBXPSK-UHFFFAOYSA-N
XLogP0.08
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxypyrazole-3,4-diamine?
The IUPAC name of 1-ethyl-5-methoxypyrazole-3,4-diamine (CID 23298742) is 1-ethyl-5-methoxypyrazole-3,4-diamine.
What is the SMILES notation for 1-ethyl-5-methoxypyrazole-3,4-diamine?
The canonical SMILES for 1-ethyl-5-methoxypyrazole-3,4-diamine is CCn1nc(N)c(N)c1OC.
What is the InChIKey of 1-ethyl-5-methoxypyrazole-3,4-diamine?
The InChIKey is NFAGQLJNDBXPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-10-6(11-2)4(7)5(8)9-10/h3,7H2,1-2H3,(H2,8,9).
What are the key properties of 1-ethyl-5-methoxypyrazole-3,4-diamine?
1-ethyl-5-methoxypyrazole-3,4-diamine has a molecular weight of 156.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxypyrazole-3,4-diamine is sourced from PubChem (CID 23298742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).