5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

C8H11N5O — CID 126975523

IUPAC5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)nn1C
InChIInChI=1S/C8H11N5O/c1-13-8(14-2)4-6(12-13)5-3-7(9)11-10-5/h3-4H,1-2H3,(H3,9,10,11)
InChIKeyPNYCHFHCICRBLY-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.40
Rot. Bonds2

About 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 126975523) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
PubChem CID126975523
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)nn1C
InChIInChI=1S/C8H11N5O/c1-13-8(14-2)4-6(12-13)5-3-7(9)11-10-5/h3-4H,1-2H3,(H3,9,10,11)
InChIKeyPNYCHFHCICRBLY-UHFFFAOYSA-N
XLogP0.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (CID 126975523) is 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is COc1cc(-c2cc(N)n[nH]2)nn1C.
What is the InChIKey of 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is PNYCHFHCICRBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-13-8(14-2)4-6(12-13)5-3-7(9)11-10-5/h3-4H,1-2H3,(H3,9,10,11).
What are the key properties of 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 126975523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).