5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole

C9H12N2O — CID 134393666

IUPAC5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2CC23CC3)[nH]n1
InChIInChI=1S/C9H12N2O/c1-4-10-11-8(1)12-6-7-5-9(7)2-3-9/h1,4,7H,2-3,5-6H2,(H,10,11)
InChIKeyPUSVWOJCVTWGBA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.59
Rot. Bonds3

About 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole

5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole (PubChem CID 134393666) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole
PubChem CID134393666
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2CC23CC3)[nH]n1
InChIInChI=1S/C9H12N2O/c1-4-10-11-8(1)12-6-7-5-9(7)2-3-9/h1,4,7H,2-3,5-6H2,(H,10,11)
InChIKeyPUSVWOJCVTWGBA-UHFFFAOYSA-N
XLogP1.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole?
The IUPAC name of 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole (CID 134393666) is 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole?
The canonical SMILES for 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole is c1cc(OCC2CC23CC3)[nH]n1.
What is the InChIKey of 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole?
The InChIKey is PUSVWOJCVTWGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-10-11-8(1)12-6-7-5-9(7)2-3-9/h1,4,7H,2-3,5-6H2,(H,10,11).
What are the key properties of 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole?
5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole has a molecular weight of 164.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole is sourced from PubChem (CID 134393666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).