1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole

C12H16F2N2O — CID 134316932

IUPAC1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole
SMILESCc1cc(C2CCOC2)n(C2CC(F)(F)C2)n1
InChIInChI=1S/C12H16F2N2O/c1-8-4-11(9-2-3-17-7-9)16(15-8)10-5-12(13,14)6-10/h4,9-10H,2-3,5-7H2,1H3
InChIKeyZVDLNIHCAAZEOU-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.67
Rot. Bonds2

About 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole

1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole (PubChem CID 134316932) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole
PubChem CID134316932
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole
SMILESCc1cc(C2CCOC2)n(C2CC(F)(F)C2)n1
InChIInChI=1S/C12H16F2N2O/c1-8-4-11(9-2-3-17-7-9)16(15-8)10-5-12(13,14)6-10/h4,9-10H,2-3,5-7H2,1H3
InChIKeyZVDLNIHCAAZEOU-UHFFFAOYSA-N
XLogP2.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluorocyclopentyl)-3-iodo-5-(tetrahydrofuran-3-yl)-1H-pyrazole
CID 90286610
1-(3,3-difluorocyclobutyl)-3-iodo-5-(tetrahydrofuran-3-yl)-1H-pyrazole
CID 90286684
1-(3,3-Difluorocyclobutyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
CID 123619943
1-(3,3-Difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
CID 123910824
1-(Oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210327
1-(3,3-Difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole
CID 134316874
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
5-Tert-butyl-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 134331647
1-(3,3-Difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole
CID 141405123
1-(3,3-Difluorocyclopentyl)-5-(oxolan-3-yl)pyrazole
CID 141405152

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole (CID 134316932) is 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole is Cc1cc(C2CCOC2)n(C2CC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
The InChIKey is ZVDLNIHCAAZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-4-11(9-2-3-17-7-9)16(15-8)10-5-12(13,14)6-10/h4,9-10H,2-3,5-7H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole has a molecular weight of 242.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 134316932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).