4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole

C16H24F2N4 — CID 138548700

IUPAC4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole
SMILESCC(C)c1nn(C(C)CCc2cc(F)n(C(C)C)n2)cc1F
InChIInChI=1S/C16H24F2N4/c1-10(2)16-14(17)9-21(20-16)12(5)6-7-13-8-15(18)22(19-13)11(3)4/h8-12H,6-7H2,1-5H3
InChIKeyGKEBLKXVXGYOEF-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.26
Rot. Bonds6

About 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole

4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole (PubChem CID 138548700) has the molecular formula C16H24F2N4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole
PubChem CID138548700
Molecular FormulaC16H24F2N4
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Name4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole
SMILESCC(C)c1nn(C(C)CCc2cc(F)n(C(C)C)n2)cc1F
InChIInChI=1S/C16H24F2N4/c1-10(2)16-14(17)9-21(20-16)12(5)6-7-13-8-15(18)22(19-13)11(3)4/h8-12H,6-7H2,1-5H3
InChIKeyGKEBLKXVXGYOEF-UHFFFAOYSA-N
XLogP4.26
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole?
The IUPAC name of 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole (CID 138548700) is 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole.
What is the SMILES notation for 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole?
The canonical SMILES for 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole is CC(C)c1nn(C(C)CCc2cc(F)n(C(C)C)n2)cc1F.
What is the InChIKey of 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole?
The InChIKey is GKEBLKXVXGYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4/c1-10(2)16-14(17)9-21(20-16)12(5)6-7-13-8-15(18)22(19-13)11(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole?
4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole has a molecular weight of 310.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole is sourced from PubChem (CID 138548700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).