5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole

C10H14N2O — CID 134399010

IUPAC5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2CCC23CC3)[nH]n1
InChIInChI=1S/C10H14N2O/c1-3-10(4-5-10)8(1)7-13-9-2-6-11-12-9/h2,6,8H,1,3-5,7H2,(H,11,12)
InChIKeyGUMRJTXXRQSABV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.98
Rot. Bonds3

About 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole

5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole (PubChem CID 134399010) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole
PubChem CID134399010
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2CCC23CC3)[nH]n1
InChIInChI=1S/C10H14N2O/c1-3-10(4-5-10)8(1)7-13-9-2-6-11-12-9/h2,6,8H,1,3-5,7H2,(H,11,12)
InChIKeyGUMRJTXXRQSABV-UHFFFAOYSA-N
XLogP1.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole?
The IUPAC name of 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole (CID 134399010) is 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole?
The canonical SMILES for 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole is c1cc(OCC2CCC23CC3)[nH]n1.
What is the InChIKey of 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole?
The InChIKey is GUMRJTXXRQSABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-10(4-5-10)8(1)7-13-9-2-6-11-12-9/h2,6,8H,1,3-5,7H2,(H,11,12).
What are the key properties of 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole?
5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole has a molecular weight of 178.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(spiro[2.3]hexan-6-ylmethoxy)-1H-pyrazole is sourced from PubChem (CID 134399010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).