3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole

C16H11FN4 — CID 22479994

IUPAC3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4ccn[nH]4)cc23)cc1
InChIInChI=1S/C16H11FN4/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19)(H,20,21)
InChIKeyXWEQWHLOXMFUBZ-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.76
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole

3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole (PubChem CID 22479994) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole
PubChem CID22479994
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4ccn[nH]4)cc23)cc1
InChIInChI=1S/C16H11FN4/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19)(H,20,21)
InChIKeyXWEQWHLOXMFUBZ-UHFFFAOYSA-N
XLogP3.76
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole (CID 22479994) is 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4ccn[nH]4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole?
The InChIKey is XWEQWHLOXMFUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole?
3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole has a molecular weight of 278.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).