3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide

C20H21N3O4 — CID 75468504

IUPAC3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-12-21-23(15-8-6-5-7-9-15)19(13)22-20(24)14-10-16(25-2)18(27-4)17(11-14)26-3/h5-12H,1-4H3,(H,22,24)
InChIKeyAICQBQQTUXIAPB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.46
Rot. Bonds6

About 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide

3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide (PubChem CID 75468504) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
PubChem CID75468504
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-12-21-23(15-8-6-5-7-9-15)19(13)22-20(24)14-10-16(25-2)18(27-4)17(11-14)26-3/h5-12H,1-4H3,(H,22,24)
InChIKeyAICQBQQTUXIAPB-UHFFFAOYSA-N
XLogP3.46
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 75468501
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468505
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
2-(2,6-dimethoxyphenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)acetamide
CID 75468723
3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
ethyl 6-oxo-1-phenyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyridazine-3-carboxylate
CID 16839258
4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468500
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598
3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71859005

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide (CID 75468504) is 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide is COc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
The InChIKey is AICQBQQTUXIAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-12-21-23(15-8-6-5-7-9-15)19(13)22-20(24)14-10-16(25-2)18(27-4)17(11-14)26-3/h5-12H,1-4H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 75468504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).