5-cycloheptyloxy-1H-pyrazole

C10H16N2O — CID 141305272

IUPAC5-cycloheptyloxy-1H-pyrazole
SMILESc1cc(OC2CCCCCC2)[nH]n1
InChIInChI=1S/C10H16N2O/c1-2-4-6-9(5-3-1)13-10-7-8-11-12-10/h7-9H,1-6H2,(H,11,12)
InChIKeyLMFCSGCHVXLAFE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.51
Rot. Bonds2

About 5-cycloheptyloxy-1H-pyrazole

5-cycloheptyloxy-1H-pyrazole (PubChem CID 141305272) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cycloheptyloxy-1H-pyrazole.

Molecular Properties

Compound Name5-cycloheptyloxy-1H-pyrazole
PubChem CID141305272
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-cycloheptyloxy-1H-pyrazole
SMILESc1cc(OC2CCCCCC2)[nH]n1
InChIInChI=1S/C10H16N2O/c1-2-4-6-9(5-3-1)13-10-7-8-11-12-10/h7-9H,1-6H2,(H,11,12)
InChIKeyLMFCSGCHVXLAFE-UHFFFAOYSA-N
XLogP2.51
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyloxy-1H-pyrazole?
The IUPAC name of 5-cycloheptyloxy-1H-pyrazole (CID 141305272) is 5-cycloheptyloxy-1H-pyrazole.
What is the SMILES notation for 5-cycloheptyloxy-1H-pyrazole?
The canonical SMILES for 5-cycloheptyloxy-1H-pyrazole is c1cc(OC2CCCCCC2)[nH]n1.
What is the InChIKey of 5-cycloheptyloxy-1H-pyrazole?
The InChIKey is LMFCSGCHVXLAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-4-6-9(5-3-1)13-10-7-8-11-12-10/h7-9H,1-6H2,(H,11,12).
What are the key properties of 5-cycloheptyloxy-1H-pyrazole?
5-cycloheptyloxy-1H-pyrazole has a molecular weight of 180.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyloxy-1H-pyrazole is sourced from PubChem (CID 141305272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).