3-(1-phenylpyrazol-4-yl)-1H-indazole

C16H12N4 — CID 70683531

IUPAC3-(1-phenylpyrazol-4-yl)-1H-indazole
SMILESc1ccc(-n2cc(-c3n[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C16H12N4/c1-2-6-13(7-3-1)20-11-12(10-17-20)16-14-8-4-5-9-15(14)18-19-16/h1-11H,(H,18,19)
InChIKeyYJMONBKLGBFKEV-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.42
Rot. Bonds2

About 3-(1-phenylpyrazol-4-yl)-1H-indazole

3-(1-phenylpyrazol-4-yl)-1H-indazole (PubChem CID 70683531) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-1H-indazole
PubChem CID70683531
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name3-(1-phenylpyrazol-4-yl)-1H-indazole
SMILESc1ccc(-n2cc(-c3n[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C16H12N4/c1-2-6-13(7-3-1)20-11-12(10-17-20)16-14-8-4-5-9-15(14)18-19-16/h1-11H,(H,18,19)
InChIKeyYJMONBKLGBFKEV-UHFFFAOYSA-N
XLogP3.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-1H-indazole (CID 70683531) is 3-(1-phenylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-1H-indazole is c1ccc(-n2cc(-c3n[nH]c4ccccc34)cn2)cc1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-1H-indazole?
The InChIKey is YJMONBKLGBFKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-6-13(7-3-1)20-11-12(10-17-20)16-14-8-4-5-9-15(14)18-19-16/h1-11H,(H,18,19).
What are the key properties of 3-(1-phenylpyrazol-4-yl)-1H-indazole?
3-(1-phenylpyrazol-4-yl)-1H-indazole has a molecular weight of 260.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 70683531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).