N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide

C23H19N3O2 — CID 11667813

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
InChIKeyPLBSHLWQAPBTCT-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds5

About N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide

N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide (PubChem CID 11667813) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide
PubChem CID11667813
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
InChIKeyPLBSHLWQAPBTCT-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)-4-methoxybenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide (CID 11667813) is N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide?
The InChIKey is PLBSHLWQAPBTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)23(27)24-22-16-21(17-8-4-2-5-9-17)25-26(22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-methoxybenzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-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)-4-methoxybenzamide is sourced from PubChem (CID 11667813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).