4-methoxy-1H-pyrazole

C4H6N2O — CID 5324776

IUPAC4-methoxy-1H-pyrazole
SMILESCOc1cn[nH]c1
InChIInChI=1S/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKeyNCFMDIJKEYGCRD-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.42
Rot. Bonds1

About 4-methoxy-1H-pyrazole

4-methoxy-1H-pyrazole (PubChem CID 5324776) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 4-methoxy-1H-pyrazole.

Molecular Properties

Compound Name4-methoxy-1H-pyrazole
PubChem CID5324776
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name4-methoxy-1H-pyrazole
SMILESCOc1cn[nH]c1
InChIInChI=1S/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKeyNCFMDIJKEYGCRD-UHFFFAOYSA-N
XLogP0.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyrazole?
The IUPAC name of 4-methoxy-1H-pyrazole (CID 5324776) is 4-methoxy-1H-pyrazole.
What is the SMILES notation for 4-methoxy-1H-pyrazole?
The canonical SMILES for 4-methoxy-1H-pyrazole is COc1cn[nH]c1.
What is the InChIKey of 4-methoxy-1H-pyrazole?
The InChIKey is NCFMDIJKEYGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6).
What are the key properties of 4-methoxy-1H-pyrazole?
4-methoxy-1H-pyrazole has a molecular weight of 98.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyrazole is sourced from PubChem (CID 5324776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).