1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole

C10H14N2O — CID 134606371

IUPAC1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole
SMILESCn1ccc(OCC2CC23CC3)n1
InChIInChI=1S/C10H14N2O/c1-12-5-2-9(11-12)13-7-8-6-10(8)3-4-10/h2,5,8H,3-4,6-7H2,1H3
InChIKeyOVTRDWUXPZRPHD-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.60
Rot. Bonds3

About 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole

1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole (PubChem CID 134606371) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole
PubChem CID134606371
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole
SMILESCn1ccc(OCC2CC23CC3)n1
InChIInChI=1S/C10H14N2O/c1-12-5-2-9(11-12)13-7-8-6-10(8)3-4-10/h2,5,8H,3-4,6-7H2,1H3
InChIKeyOVTRDWUXPZRPHD-UHFFFAOYSA-N
XLogP1.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole?
The IUPAC name of 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole (CID 134606371) is 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole.
What is the SMILES notation for 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole?
The canonical SMILES for 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole is Cn1ccc(OCC2CC23CC3)n1.
What is the InChIKey of 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole?
The InChIKey is OVTRDWUXPZRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-5-2-9(11-12)13-7-8-6-10(8)3-4-10/h2,5,8H,3-4,6-7H2,1H3.
What are the key properties of 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole?
1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole has a molecular weight of 178.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole is sourced from PubChem (CID 134606371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).