3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole

C17H14N4 — CID 164620370

IUPAC3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole
SMILESCn1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cn1
InChIInChI=1S/C17H14N4/c1-21-11-14(10-18-21)17-15-9-13(7-8-16(15)19-20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20)
InChIKeyHCHCFNOTEBJDGE-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole

3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole (PubChem CID 164620370) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole
PubChem CID164620370
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole
SMILESCn1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cn1
InChIInChI=1S/C17H14N4/c1-21-11-14(10-18-21)17-15-9-13(7-8-16(15)19-20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20)
InChIKeyHCHCFNOTEBJDGE-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 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole (CID 164620370) is 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole is Cn1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole?
The InChIKey is HCHCFNOTEBJDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-11-14(10-18-21)17-15-9-13(7-8-16(15)19-20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20).
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole?
3-(1-methylpyrazol-4-yl)-5-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 3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole is sourced from PubChem (CID 164620370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).