6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole

C17H14N4 — CID 127047126

IUPAC6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole
SMILESCn1cc(-c2cc(-c3ccccc3)c3cn[nH]c3c2)cn1
InChIInChI=1S/C17H14N4/c1-21-11-14(9-19-21)13-7-15(12-5-3-2-4-6-12)16-10-18-20-17(16)8-13/h2-11H,1H3,(H,18,20)
InChIKeyOKFWGZUWZRRFJY-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole

6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole (PubChem CID 127047126) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole
PubChem CID127047126
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole
SMILESCn1cc(-c2cc(-c3ccccc3)c3cn[nH]c3c2)cn1
InChIInChI=1S/C17H14N4/c1-21-11-14(9-19-21)13-7-15(12-5-3-2-4-6-12)16-10-18-20-17(16)8-13/h2-11H,1H3,(H,18,20)
InChIKeyOKFWGZUWZRRFJY-UHFFFAOYSA-N
XLogP3.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole (CID 127047126) is 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole is Cn1cc(-c2cc(-c3ccccc3)c3cn[nH]c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole?
The InChIKey is OKFWGZUWZRRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-11-14(9-19-21)13-7-15(12-5-3-2-4-6-12)16-10-18-20-17(16)8-13/h2-11H,1H3,(H,18,20).
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole?
6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole has a molecular weight of 274.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole is sourced from PubChem (CID 127047126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).