5-methoxy-1-propan-2-ylpyrazole-3,4-diamine

C7H14N4O — CID 23298727

IUPAC5-methoxy-1-propan-2-ylpyrazole-3,4-diamine
SMILESCOc1c(N)c(N)nn1C(C)C
InChIInChI=1S/C7H14N4O/c1-4(2)11-7(12-3)5(8)6(9)10-11/h4H,8H2,1-3H3,(H2,9,10)
InChIKeyCRYJHJQJKHOVQP-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.64
Rot. Bonds2

About 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine

5-methoxy-1-propan-2-ylpyrazole-3,4-diamine (PubChem CID 23298727) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine.

Molecular Properties

Compound Name5-methoxy-1-propan-2-ylpyrazole-3,4-diamine
PubChem CID23298727
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-methoxy-1-propan-2-ylpyrazole-3,4-diamine
SMILESCOc1c(N)c(N)nn1C(C)C
InChIInChI=1S/C7H14N4O/c1-4(2)11-7(12-3)5(8)6(9)10-11/h4H,8H2,1-3H3,(H2,9,10)
InChIKeyCRYJHJQJKHOVQP-UHFFFAOYSA-N
XLogP0.64
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine?
The IUPAC name of 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine (CID 23298727) is 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine.
What is the SMILES notation for 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine?
The canonical SMILES for 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine is COc1c(N)c(N)nn1C(C)C.
What is the InChIKey of 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine?
The InChIKey is CRYJHJQJKHOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4(2)11-7(12-3)5(8)6(9)10-11/h4H,8H2,1-3H3,(H2,9,10).
What are the key properties of 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine?
5-methoxy-1-propan-2-ylpyrazole-3,4-diamine has a molecular weight of 170.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-propan-2-ylpyrazole-3,4-diamine is sourced from PubChem (CID 23298727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).