4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane

C12H24F2N2 — CID 142399542

IUPAC4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane
SMILESCC.CC(F)(F)CCc1cn[nH]c1.CCC
InChIInChI=1S/C7H10F2N2.C3H8.C2H6/c1-7(8,9)3-2-6-4-10-11-5-6;1-3-2;1-2/h4-5H,2-3H2,1H3,(H,10,11);3H2,1-2H3;1-2H3
InChIKeyJTEMJTLBQHPSGG-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.44
Rot. Bonds3

About 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane

4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane (PubChem CID 142399542) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane.

Molecular Properties

Compound Name4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane
PubChem CID142399542
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane
SMILESCC.CC(F)(F)CCc1cn[nH]c1.CCC
InChIInChI=1S/C7H10F2N2.C3H8.C2H6/c1-7(8,9)3-2-6-4-10-11-5-6;1-3-2;1-2/h4-5H,2-3H2,1H3,(H,10,11);3H2,1-2H3;1-2H3
InChIKeyJTEMJTLBQHPSGG-UHFFFAOYSA-N
XLogP4.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1H-Pyrazole-4-propanamine
CID 152327
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-Ethyl-1H-pyrazole
CID 12933274
4-(Heptadecafluorooctyl)-1H-pyrazole
CID 13286741
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
3-(1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 22754933
4-(2-methylpropyl)-1H-pyrazole
CID 58592546
4-(3-bromopropyl)-1H-pyrazole
CID 62719279
4-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 91351724

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane?
The IUPAC name of 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane (CID 142399542) is 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane.
What is the SMILES notation for 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane?
The canonical SMILES for 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane is CC.CC(F)(F)CCc1cn[nH]c1.CCC.
What is the InChIKey of 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane?
The InChIKey is JTEMJTLBQHPSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2.C3H8.C2H6/c1-7(8,9)3-2-6-4-10-11-5-6;1-3-2;1-2/h4-5H,2-3H2,1H3,(H,10,11);3H2,1-2H3;1-2H3.
What are the key properties of 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane?
4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane has a molecular weight of 234.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutyl)-1H-pyrazole;ethane;propane is sourced from PubChem (CID 142399542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).