5-(methoxymethyl)-1H-pyrazole

C5H8N2O — CID 15765924

IUPAC5-(methoxymethyl)-1H-pyrazole
SMILESCOCc1ccn[nH]1
InChIInChI=1S/C5H8N2O/c1-8-4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7)
InChIKeyBTFRKRYIPLNIEG-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.56
Rot. Bonds2

About 5-(methoxymethyl)-1H-pyrazole

5-(methoxymethyl)-1H-pyrazole (PubChem CID 15765924) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-(methoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1H-pyrazole
PubChem CID15765924
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-(methoxymethyl)-1H-pyrazole
SMILESCOCc1ccn[nH]1
InChIInChI=1S/C5H8N2O/c1-8-4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7)
InChIKeyBTFRKRYIPLNIEG-UHFFFAOYSA-N
XLogP0.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1H-pyrazole?
The IUPAC name of 5-(methoxymethyl)-1H-pyrazole (CID 15765924) is 5-(methoxymethyl)-1H-pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1H-pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1H-pyrazole is COCc1ccn[nH]1.
What is the InChIKey of 5-(methoxymethyl)-1H-pyrazole?
The InChIKey is BTFRKRYIPLNIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-8-4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7).
What are the key properties of 5-(methoxymethyl)-1H-pyrazole?
5-(methoxymethyl)-1H-pyrazole has a molecular weight of 112.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1H-pyrazole is sourced from PubChem (CID 15765924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).