N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide

C22H17N3O2 — CID 11175693

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H17N3O2/c26-20-14-8-7-13-18(20)22(27)23-21-15-19(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,26H,(H,23,27)
InChIKeyOHOHZQSGKUJKSI-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.50
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide

N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide (PubChem CID 11175693) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide
PubChem CID11175693
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H17N3O2/c26-20-14-8-7-13-18(20)22(27)23-21-15-19(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,26H,(H,23,27)
InChIKeyOHOHZQSGKUJKSI-UHFFFAOYSA-N
XLogP4.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide (CID 11175693) is N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1O.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide?
The InChIKey is OHOHZQSGKUJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-20-14-8-7-13-18(20)22(27)23-21-15-19(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,26H,(H,23,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide?
N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide has a molecular weight of 355.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-hydroxybenzamide is sourced from PubChem (CID 11175693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).