4-ethenyl-5-methoxy-1H-pyrazole

C6H8N2O — CID 121446363

IUPAC4-ethenyl-5-methoxy-1H-pyrazole
SMILESC=Cc1cn[nH]c1OC
InChIInChI=1S/C6H8N2O/c1-3-5-4-7-8-6(5)9-2/h3-4H,1H2,2H3,(H,7,8)
InChIKeyNLYZYJHRQYJNQQ-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.06
Rot. Bonds2

About 4-ethenyl-5-methoxy-1H-pyrazole

4-ethenyl-5-methoxy-1H-pyrazole (PubChem CID 121446363) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-ethenyl-5-methoxy-1H-pyrazole.

Molecular Properties

Compound Name4-ethenyl-5-methoxy-1H-pyrazole
PubChem CID121446363
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-ethenyl-5-methoxy-1H-pyrazole
SMILESC=Cc1cn[nH]c1OC
InChIInChI=1S/C6H8N2O/c1-3-5-4-7-8-6(5)9-2/h3-4H,1H2,2H3,(H,7,8)
InChIKeyNLYZYJHRQYJNQQ-UHFFFAOYSA-N
XLogP1.06
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methoxy-1H-pyrazole?
The IUPAC name of 4-ethenyl-5-methoxy-1H-pyrazole (CID 121446363) is 4-ethenyl-5-methoxy-1H-pyrazole.
What is the SMILES notation for 4-ethenyl-5-methoxy-1H-pyrazole?
The canonical SMILES for 4-ethenyl-5-methoxy-1H-pyrazole is C=Cc1cn[nH]c1OC.
What is the InChIKey of 4-ethenyl-5-methoxy-1H-pyrazole?
The InChIKey is NLYZYJHRQYJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-5-4-7-8-6(5)9-2/h3-4H,1H2,2H3,(H,7,8).
What are the key properties of 4-ethenyl-5-methoxy-1H-pyrazole?
4-ethenyl-5-methoxy-1H-pyrazole has a molecular weight of 124.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methoxy-1H-pyrazole is sourced from PubChem (CID 121446363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).