4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole

C12H9F3N4 — CID 71735375

IUPAC4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCn1nccc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C12H9F3N4/c1-19-11(2-3-17-19)8-4-7(12(13,14)15)5-10-9(8)6-16-18-10/h2-6H,1H3,(H,16,18)
InChIKeyVJZBRXPAQJXJPH-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.98
Rot. Bonds1

About 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole

4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 71735375) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
PubChem CID71735375
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCn1nccc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C12H9F3N4/c1-19-11(2-3-17-19)8-4-7(12(13,14)15)5-10-9(8)6-16-18-10/h2-6H,1H3,(H,16,18)
InChIKeyVJZBRXPAQJXJPH-UHFFFAOYSA-N
XLogP2.98
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole (CID 71735375) is 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole is Cn1nccc1-c1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is VJZBRXPAQJXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c1-19-11(2-3-17-19)8-4-7(12(13,14)15)5-10-9(8)6-16-18-10/h2-6H,1H3,(H,16,18).
What are the key properties of 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole?
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 266.23 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 71735375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).