1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane

C10H16F2N2 — CID 166121696

IUPAC1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane
SMILESCC.Cc1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C8H10F2N2.C2H6/c1-6-4-11-12(5-6)7-2-8(9,10)3-7;1-2/h4-5,7H,2-3H2,1H3;1-2H3
InChIKeyKGYCHOSTCORUPF-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.19
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane

1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane (PubChem CID 166121696) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane
PubChem CID166121696
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane
SMILESCC.Cc1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C8H10F2N2.C2H6/c1-6-4-11-12(5-6)7-2-8(9,10)3-7;1-2/h4-5,7H,2-3H2,1H3;1-2H3
InChIKeyKGYCHOSTCORUPF-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane (CID 166121696) is 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane is CC.Cc1cnn(C2CC(F)(F)C2)c1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane?
The InChIKey is KGYCHOSTCORUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2.C2H6/c1-6-4-11-12(5-6)7-2-8(9,10)3-7;1-2/h4-5,7H,2-3H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane?
1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane has a molecular weight of 202.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane is sourced from PubChem (CID 166121696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).