5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole

C16H16N6 — CID 90112137

IUPAC5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole
SMILESCCn1nccc1-c1cc(-c2ccc3c(cnn3C)c2)n[nH]1
InChIInChI=1S/C16H16N6/c1-3-22-16(6-7-17-22)14-9-13(19-20-14)11-4-5-15-12(8-11)10-18-21(15)2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyRIDBQLOINLXEGL-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.85
Rot. Bonds3

About 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole

5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole (PubChem CID 90112137) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole.

Molecular Properties

Compound Name5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole
PubChem CID90112137
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole
SMILESCCn1nccc1-c1cc(-c2ccc3c(cnn3C)c2)n[nH]1
InChIInChI=1S/C16H16N6/c1-3-22-16(6-7-17-22)14-9-13(19-20-14)11-4-5-15-12(8-11)10-18-21(15)2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyRIDBQLOINLXEGL-UHFFFAOYSA-N
XLogP2.85
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole?
The IUPAC name of 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole (CID 90112137) is 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole.
What is the SMILES notation for 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole?
The canonical SMILES for 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole is CCn1nccc1-c1cc(-c2ccc3c(cnn3C)c2)n[nH]1.
What is the InChIKey of 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole?
The InChIKey is RIDBQLOINLXEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-3-22-16(6-7-17-22)14-9-13(19-20-14)11-4-5-15-12(8-11)10-18-21(15)2/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole?
5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole has a molecular weight of 292.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole is sourced from PubChem (CID 90112137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).