4-ethyl-5-methoxy-1H-pyrazole

C6H10N2O — CID 121446430

IUPAC4-ethyl-5-methoxy-1H-pyrazole
SMILESCCc1cn[nH]c1OC
InChIInChI=1S/C6H10N2O/c1-3-5-4-7-8-6(5)9-2/h4H,3H2,1-2H3,(H,7,8)
InChIKeyJYNCKDHGTZBVKD-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.98
Rot. Bonds2

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

4-ethyl-5-methoxy-1H-pyrazole (PubChem CID 121446430) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-methoxy-1H-pyrazole
PubChem CID121446430
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-ethyl-5-methoxy-1H-pyrazole
SMILESCCc1cn[nH]c1OC
InChIInChI=1S/C6H10N2O/c1-3-5-4-7-8-6(5)9-2/h4H,3H2,1-2H3,(H,7,8)
InChIKeyJYNCKDHGTZBVKD-UHFFFAOYSA-N
XLogP0.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-1H-pyrazole?
The IUPAC name of 4-ethyl-5-methoxy-1H-pyrazole (CID 121446430) is 4-ethyl-5-methoxy-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-methoxy-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-methoxy-1H-pyrazole is CCc1cn[nH]c1OC.
What is the InChIKey of 4-ethyl-5-methoxy-1H-pyrazole?
The InChIKey is JYNCKDHGTZBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4-7-8-6(5)9-2/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 4-ethyl-5-methoxy-1H-pyrazole?
4-ethyl-5-methoxy-1H-pyrazole has a molecular weight of 126.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-1H-pyrazole is sourced from PubChem (CID 121446430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).