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

C13H24F2N2 — CID 171505907

IUPAC1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane
SMILESCC.CCC.Cc1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C8H10F2N2.C3H8.C2H6/c1-6-4-11-12(5-6)7-2-8(9,10)3-7;1-3-2;1-2/h4-5,7H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyUACQGMSNZFAKLO-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.60
Rot. Bonds1

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

1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane (PubChem CID 171505907) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane
PubChem CID171505907
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane
SMILESCC.CCC.Cc1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C8H10F2N2.C3H8.C2H6/c1-6-4-11-12(5-6)7-2-8(9,10)3-7;1-3-2;1-2/h4-5,7H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyUACQGMSNZFAKLO-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane (CID 171505907) is 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane is CC.CCC.Cc1cnn(C2CC(F)(F)C2)c1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane?
The InChIKey is UACQGMSNZFAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2.C3H8.C2H6/c1-6-4-11-12(5-6)7-2-8(9,10)3-7;1-3-2;1-2/h4-5,7H,2-3H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane?
1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane has a molecular weight of 246.34 g/mol, XLogP of 4.60, 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;propane is sourced from PubChem (CID 171505907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).