3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide

C22H25N3O4 — CID 55700576

IUPAC3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-n3cccn3)c2)cc(OCC)c1OCC
InChIInChI=1S/C22H25N3O4/c1-4-27-19-13-16(14-20(28-5-2)21(19)29-6-3)22(26)24-17-9-7-10-18(15-17)25-12-8-11-23-25/h7-15H,4-6H2,1-3H3,(H,24,26)
InChIKeyKFBMNERDVYKJEE-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.32
Rot. Bonds9

About 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide

3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide (PubChem CID 55700576) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
PubChem CID55700576
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-n3cccn3)c2)cc(OCC)c1OCC
InChIInChI=1S/C22H25N3O4/c1-4-27-19-13-16(14-20(28-5-2)21(19)29-6-3)22(26)24-17-9-7-10-18(15-17)25-12-8-11-23-25/h7-15H,4-6H2,1-3H3,(H,24,26)
InChIKeyKFBMNERDVYKJEE-UHFFFAOYSA-N
XLogP4.32
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 51117263
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
CID 26702605
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55766227

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide (CID 55700576) is 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide is CCOc1cc(C(=O)Nc2cccc(-n3cccn3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide?
The InChIKey is KFBMNERDVYKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-27-19-13-16(14-20(28-5-2)21(19)29-6-3)22(26)24-17-9-7-10-18(15-17)25-12-8-11-23-25/h7-15H,4-6H2,1-3H3,(H,24,26).
What are the key properties of 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide?
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 55700576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).