3-methoxy-5-methyl-1H-pyrazole

C5H8N2O — CID 3790357

IUPAC3-methoxy-5-methyl-1H-pyrazole
SMILESCOc1cc(C)[nH]n1
InChIInChI=1S/C5H8N2O/c1-4-3-5(8-2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKeyGZWAVQOMDAZDIT-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.73
Rot. Bonds1

About 3-methoxy-5-methyl-1H-pyrazole

3-methoxy-5-methyl-1H-pyrazole (PubChem CID 3790357) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methoxy-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-methoxy-5-methyl-1H-pyrazole
PubChem CID3790357
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-methoxy-5-methyl-1H-pyrazole
SMILESCOc1cc(C)[nH]n1
InChIInChI=1S/C5H8N2O/c1-4-3-5(8-2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKeyGZWAVQOMDAZDIT-UHFFFAOYSA-N
XLogP0.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-1H-pyrazole?
The IUPAC name of 3-methoxy-5-methyl-1H-pyrazole (CID 3790357) is 3-methoxy-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-methoxy-5-methyl-1H-pyrazole?
The canonical SMILES for 3-methoxy-5-methyl-1H-pyrazole is COc1cc(C)[nH]n1.
What is the InChIKey of 3-methoxy-5-methyl-1H-pyrazole?
The InChIKey is GZWAVQOMDAZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-3-5(8-2)7-6-4/h3H,1-2H3,(H,6,7).
What are the key properties of 3-methoxy-5-methyl-1H-pyrazole?
3-methoxy-5-methyl-1H-pyrazole has a molecular weight of 112.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-1H-pyrazole is sourced from PubChem (CID 3790357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).