5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole

C11H16F2N2 — CID 167560771

IUPAC5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole
SMILESCc1cc(C(C)(F)F)n(C2CC(C)C2)n1
InChIInChI=1S/C11H16F2N2/c1-7-4-9(5-7)15-10(11(3,12)13)6-8(2)14-15/h6-7,9H,4-5H2,1-3H3
InChIKeyIXUIMRIRRUDRAR-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.27
Rot. Bonds2

About 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole

5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole (PubChem CID 167560771) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole
PubChem CID167560771
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole
SMILESCc1cc(C(C)(F)F)n(C2CC(C)C2)n1
InChIInChI=1S/C11H16F2N2/c1-7-4-9(5-7)15-10(11(3,12)13)6-8(2)14-15/h6-7,9H,4-5H2,1-3H3
InChIKeyIXUIMRIRRUDRAR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole?
The IUPAC name of 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole (CID 167560771) is 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole is Cc1cc(C(C)(F)F)n(C2CC(C)C2)n1.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole?
The InChIKey is IXUIMRIRRUDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7-4-9(5-7)15-10(11(3,12)13)6-8(2)14-15/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole?
5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole has a molecular weight of 214.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-methyl-1-(3-methylcyclobutyl)pyrazole is sourced from PubChem (CID 167560771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).