5-(3-methyloxetan-3-yl)-1H-pyrazole

C7H10N2O — CID 118194967

IUPAC5-(3-methyloxetan-3-yl)-1H-pyrazole
SMILESCC1(c2ccn[nH]2)COC1
InChIInChI=1S/C7H10N2O/c1-7(4-10-5-7)6-2-3-8-9-6/h2-3H,4-5H2,1H3,(H,8,9)
InChIKeyCKBAYVXZYQQGRC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.70
Rot. Bonds1

About 5-(3-methyloxetan-3-yl)-1H-pyrazole

5-(3-methyloxetan-3-yl)-1H-pyrazole (PubChem CID 118194967) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(3-methyloxetan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-methyloxetan-3-yl)-1H-pyrazole
PubChem CID118194967
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-(3-methyloxetan-3-yl)-1H-pyrazole
SMILESCC1(c2ccn[nH]2)COC1
InChIInChI=1S/C7H10N2O/c1-7(4-10-5-7)6-2-3-8-9-6/h2-3H,4-5H2,1H3,(H,8,9)
InChIKeyCKBAYVXZYQQGRC-UHFFFAOYSA-N
XLogP0.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyloxetan-3-yl)-1H-pyrazole?
The IUPAC name of 5-(3-methyloxetan-3-yl)-1H-pyrazole (CID 118194967) is 5-(3-methyloxetan-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3-methyloxetan-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(3-methyloxetan-3-yl)-1H-pyrazole is CC1(c2ccn[nH]2)COC1.
What is the InChIKey of 5-(3-methyloxetan-3-yl)-1H-pyrazole?
The InChIKey is CKBAYVXZYQQGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(4-10-5-7)6-2-3-8-9-6/h2-3H,4-5H2,1H3,(H,8,9).
What are the key properties of 5-(3-methyloxetan-3-yl)-1H-pyrazole?
5-(3-methyloxetan-3-yl)-1H-pyrazole has a molecular weight of 138.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyloxetan-3-yl)-1H-pyrazole is sourced from PubChem (CID 118194967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).