1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole

C11H18N2O — CID 170203722

IUPAC1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole
SMILESCc1cc(CC2CCOCC2)n(C)n1
InChIInChI=1S/C11H18N2O/c1-9-7-11(13(2)12-9)8-10-3-5-14-6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyMBTZBFDPNOECOD-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.70
Rot. Bonds2

About 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole

1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole (PubChem CID 170203722) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole
PubChem CID170203722
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole
SMILESCc1cc(CC2CCOCC2)n(C)n1
InChIInChI=1S/C11H18N2O/c1-9-7-11(13(2)12-9)8-10-3-5-14-6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyMBTZBFDPNOECOD-UHFFFAOYSA-N
XLogP1.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-Fluorooxan-4-yl)methyl]-1-methylpyrazole-3-carbonitrile
CID 67158345
5-Methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 122633457
1-(3,3-Difluorocyclobutyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
CID 123619943
3-Ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
CID 123703137
1-(3,3-Difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
CID 123910824
1-[2-(Oxan-4-yl)ethyl]-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331560
5-Ethyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 134331615
1-(Oxan-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331623
1-(Oxan-2-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 142624744
Ethane;5-methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 144862601
Ethane;3-ethyl-1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157041504
3-Ethyl-1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157041505

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole?
The IUPAC name of 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole (CID 170203722) is 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole?
The canonical SMILES for 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole is Cc1cc(CC2CCOCC2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole?
The InChIKey is MBTZBFDPNOECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-7-11(13(2)12-9)8-10-3-5-14-6-4-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole?
1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole has a molecular weight of 194.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxan-4-ylmethyl)pyrazole is sourced from PubChem (CID 170203722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).