1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol

C9H12F2N2O — CID 178046607

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol
SMILESCc1cc(C2(O)CC(F)(F)C2)nn1C
InChIInChI=1S/C9H12F2N2O/c1-6-3-7(12-13(6)2)8(14)4-9(10,11)5-8/h3,14H,4-5H2,1-2H3
InChIKeyUYJJTIFTZXXQAU-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.35
Rot. Bonds1

About 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol

1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol (PubChem CID 178046607) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol
PubChem CID178046607
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol
SMILESCc1cc(C2(O)CC(F)(F)C2)nn1C
InChIInChI=1S/C9H12F2N2O/c1-6-3-7(12-13(6)2)8(14)4-9(10,11)5-8/h3,14H,4-5H2,1-2H3
InChIKeyUYJJTIFTZXXQAU-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol (CID 178046607) is 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol is Cc1cc(C2(O)CC(F)(F)C2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol?
The InChIKey is UYJJTIFTZXXQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6-3-7(12-13(6)2)8(14)4-9(10,11)5-8/h3,14H,4-5H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol?
1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol is sourced from PubChem (CID 178046607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).