N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide

C23H19N3O2 — CID 11710424

IUPACN-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)23(27)24-22-16-21(17-9-4-2-5-10-17)25-26(22)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
InChIKeyGCBGMFFPAAZMON-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds5

About N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide

N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide (PubChem CID 11710424) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide
PubChem CID11710424
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)23(27)24-22-16-21(17-9-4-2-5-10-17)25-26(22)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)
InChIKeyGCBGMFFPAAZMON-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide (CID 11710424) is N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide?
The InChIKey is GCBGMFFPAAZMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-14-8-11-18(15-20)23(27)24-22-16-21(17-9-4-2-5-10-17)25-26(22)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide?
N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 11710424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).