5-(2-methoxyethyl)-1H-pyrazole

C6H10N2O — CID 15320713

IUPAC5-(2-methoxyethyl)-1H-pyrazole
SMILESCOCCc1ccn[nH]1
InChIInChI=1S/C6H10N2O/c1-9-5-3-6-2-4-7-8-6/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyZSPMFBHKLJRUJL-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.60
Rot. Bonds3

About 5-(2-methoxyethyl)-1H-pyrazole

5-(2-methoxyethyl)-1H-pyrazole (PubChem CID 15320713) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1H-pyrazole
PubChem CID15320713
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-(2-methoxyethyl)-1H-pyrazole
SMILESCOCCc1ccn[nH]1
InChIInChI=1S/C6H10N2O/c1-9-5-3-6-2-4-7-8-6/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyZSPMFBHKLJRUJL-UHFFFAOYSA-N
XLogP0.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1H-pyrazole?
The IUPAC name of 5-(2-methoxyethyl)-1H-pyrazole (CID 15320713) is 5-(2-methoxyethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methoxyethyl)-1H-pyrazole?
The canonical SMILES for 5-(2-methoxyethyl)-1H-pyrazole is COCCc1ccn[nH]1.
What is the InChIKey of 5-(2-methoxyethyl)-1H-pyrazole?
The InChIKey is ZSPMFBHKLJRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-9-5-3-6-2-4-7-8-6/h2,4H,3,5H2,1H3,(H,7,8).
What are the key properties of 5-(2-methoxyethyl)-1H-pyrazole?
5-(2-methoxyethyl)-1H-pyrazole has a molecular weight of 126.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1H-pyrazole is sourced from PubChem (CID 15320713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).