4-cyclobutyloxy-1H-pyrazole

C7H10N2O — CID 117233524

IUPAC4-cyclobutyloxy-1H-pyrazole
SMILESc1n[nH]cc1OC1CCC1
InChIInChI=1S/C7H10N2O/c1-2-6(3-1)10-7-4-8-9-5-7/h4-6H,1-3H2,(H,8,9)
InChIKeyUTNFLLYIVGSPOM-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.34
Rot. Bonds2

About 4-cyclobutyloxy-1H-pyrazole

4-cyclobutyloxy-1H-pyrazole (PubChem CID 117233524) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-cyclobutyloxy-1H-pyrazole.

Molecular Properties

Compound Name4-cyclobutyloxy-1H-pyrazole
PubChem CID117233524
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-cyclobutyloxy-1H-pyrazole
SMILESc1n[nH]cc1OC1CCC1
InChIInChI=1S/C7H10N2O/c1-2-6(3-1)10-7-4-8-9-5-7/h4-6H,1-3H2,(H,8,9)
InChIKeyUTNFLLYIVGSPOM-UHFFFAOYSA-N
XLogP1.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1H-pyrazole?
The IUPAC name of 4-cyclobutyloxy-1H-pyrazole (CID 117233524) is 4-cyclobutyloxy-1H-pyrazole.
What is the SMILES notation for 4-cyclobutyloxy-1H-pyrazole?
The canonical SMILES for 4-cyclobutyloxy-1H-pyrazole is c1n[nH]cc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxy-1H-pyrazole?
The InChIKey is UTNFLLYIVGSPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-6(3-1)10-7-4-8-9-5-7/h4-6H,1-3H2,(H,8,9).
What are the key properties of 4-cyclobutyloxy-1H-pyrazole?
4-cyclobutyloxy-1H-pyrazole has a molecular weight of 138.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1H-pyrazole is sourced from PubChem (CID 117233524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).