4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole

C11H16F2N2 — CID 173077766

IUPAC4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1C(C)C1CC(F)(F)C1
InChIInChI=1S/C11H16F2N2/c1-7(9-4-11(12,13)5-9)10-6-15(3)14-8(10)2/h6-7,9H,4-5H2,1-3H3
InChIKeyUJGWLLIRIQZZRU-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.88
Rot. Bonds2

About 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole

4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole (PubChem CID 173077766) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole
PubChem CID173077766
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1C(C)C1CC(F)(F)C1
InChIInChI=1S/C11H16F2N2/c1-7(9-4-11(12,13)5-9)10-6-15(3)14-8(10)2/h6-7,9H,4-5H2,1-3H3
InChIKeyUJGWLLIRIQZZRU-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
CID 95567318
4-(1-bromopropan-2-yl)-1,3-dimethylpyrazole
CID 66470862
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
CID 83090918
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975488
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
CID 65191908

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole (CID 173077766) is 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole is Cc1nn(C)cc1C(C)C1CC(F)(F)C1.
What is the InChIKey of 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole?
The InChIKey is UJGWLLIRIQZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(9-4-11(12,13)5-9)10-6-15(3)14-8(10)2/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole?
4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole has a molecular weight of 214.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 173077766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).