3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole

C13H18N2O — CID 167107188

IUPAC3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole
SMILESCn1ccc(OCCC2C3(CC3)C23CC3)n1
InChIInChI=1S/C13H18N2O/c1-15-8-2-11(14-15)16-9-3-10-12(4-5-12)13(10)6-7-13/h2,8,10H,3-7,9H2,1H3
InChIKeyMRERTKLKOKVCQH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds4

About 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole

3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole (PubChem CID 167107188) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole
PubChem CID167107188
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole
SMILESCn1ccc(OCCC2C3(CC3)C23CC3)n1
InChIInChI=1S/C13H18N2O/c1-15-8-2-11(14-15)16-9-3-10-12(4-5-12)13(10)6-7-13/h2,8,10H,3-7,9H2,1H3
InChIKeyMRERTKLKOKVCQH-UHFFFAOYSA-N
XLogP2.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Dimethylethyl 3-(2-dispiro[2.0.2.1]hept-7-ylethoxy)-1H-pyrazole-1-carboxylate
CID 134587426
1-Methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 134398797
1-[(2-Methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 138574704
1-Ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 139428411
1-Propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 139573857
(4-Cyclopropyl-2-methylbutan-2-yl) 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylate
CID 142372577
1-Propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 153351137
1-Butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 170246855
1-Methyl-3-(3-methylbutoxy)pyrazole
CID 21645364
3-(Cyclobutylmethoxy)-1-methylpyrazole
CID 121263523
3-(2,2-Dimethylpropoxy)-1-methylpyrazole
CID 121263536
3-(Cyclopropylmethoxy)-1-methylpyrazole
CID 121263537

Frequently Asked Questions

What is the IUPAC name of 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole?
The IUPAC name of 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole (CID 167107188) is 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole is Cn1ccc(OCCC2C3(CC3)C23CC3)n1.
What is the InChIKey of 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole?
The InChIKey is MRERTKLKOKVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-2-11(14-15)16-9-3-10-12(4-5-12)13(10)6-7-13/h2,8,10H,3-7,9H2,1H3.
What are the key properties of 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole?
3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole is sourced from PubChem (CID 167107188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).