4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole

C17H11F3N4 — CID 71735706

IUPAC4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole
SMILESFC(F)(F)c1cc(-c2cccc(-n3cccn3)c2)c2cn[nH]c2c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)12-8-14(15-10-21-23-16(15)9-12)11-3-1-4-13(7-11)24-6-2-5-22-24/h1-10H,(H,21,23)
InChIKeyCHPWQXOPMVWQTL-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.43
Rot. Bonds2

About 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole

4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 71735706) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole
PubChem CID71735706
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole
SMILESFC(F)(F)c1cc(-c2cccc(-n3cccn3)c2)c2cn[nH]c2c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)12-8-14(15-10-21-23-16(15)9-12)11-3-1-4-13(7-11)24-6-2-5-22-24/h1-10H,(H,21,23)
InChIKeyCHPWQXOPMVWQTL-UHFFFAOYSA-N
XLogP4.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole (CID 71735706) is 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole is FC(F)(F)c1cc(-c2cccc(-n3cccn3)c2)c2cn[nH]c2c1.
What is the InChIKey of 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is CHPWQXOPMVWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)12-8-14(15-10-21-23-16(15)9-12)11-3-1-4-13(7-11)24-6-2-5-22-24/h1-10H,(H,21,23).
What are the key properties of 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole?
4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 328.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 71735706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).