3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine

C23H16F5N5 — CID 135222842

IUPAC3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
SMILESCC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C23H16F5N5/c1-11(2)22-20(13-4-6-17-14(21(13)25)9-30-31-17)19-8-18(29-10-33(19)32-22)12-3-5-16(24)15(7-12)23(26,27)28/h3-11H,1-2H3,(H,30,31)
InChIKeyMOMOJSSAYJYJQH-UHFFFAOYSA-N
MW457.41 g/mol
LogP6.36
Rot. Bonds3

About 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine

3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine (PubChem CID 135222842) has the molecular formula C23H16F5N5 and a molecular weight of 457.41 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
PubChem CID135222842
Molecular FormulaC23H16F5N5
Molecular Weight457.41 g/mol
Exact Mass457.13
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
SMILESCC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C23H16F5N5/c1-11(2)22-20(13-4-6-17-14(21(13)25)9-30-31-17)19-8-18(29-10-33(19)32-22)12-3-5-16(24)15(7-12)23(26,27)28/h3-11H,1-2H3,(H,30,31)
InChIKeyMOMOJSSAYJYJQH-UHFFFAOYSA-N
XLogP6.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine (CID 135222842) is 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine is CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
The InChIKey is MOMOJSSAYJYJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5/c1-11(2)22-20(13-4-6-17-14(21(13)25)9-30-31-17)19-8-18(29-10-33(19)32-22)12-3-5-16(24)15(7-12)23(26,27)28/h3-11H,1-2H3,(H,30,31).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine has a molecular weight of 457.41 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 135222842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).