3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol

C23H18N4O — CID 135567434

IUPAC3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol
SMILESOc1cc2n[nH]c(Cc3ccccc3)c2cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26)
InChIKeyXBGRZWVCOXMUCW-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.71
Rot. Bonds4

About 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol

3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol (PubChem CID 135567434) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol.

Molecular Properties

Compound Name3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol
PubChem CID135567434
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol
SMILESOc1cc2n[nH]c(Cc3ccccc3)c2cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26)
InChIKeyXBGRZWVCOXMUCW-UHFFFAOYSA-N
XLogP4.71
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol?
The IUPAC name of 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol (CID 135567434) is 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol.
What is the SMILES notation for 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol?
The canonical SMILES for 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol is Oc1cc2n[nH]c(Cc3ccccc3)c2cc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol?
The InChIKey is XBGRZWVCOXMUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26).
What are the key properties of 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol?
3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol has a molecular weight of 366.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-phenylpyrazol-3-yl)-2H-indazol-6-ol is sourced from PubChem (CID 135567434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).