3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

C22H24N4O5 — CID 46427808

IUPAC3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O5/c1-14(26-10-6-9-23-26)21(27)24-16-7-5-8-17(13-16)25-22(28)15-11-18(29-2)20(31-4)19(12-15)30-3/h5-14H,1-4H3,(H,24,27)(H,25,28)
InChIKeyOUTLCYLIRJAGJU-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.36
Rot. Bonds8

About 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 46427808) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID46427808
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O5/c1-14(26-10-6-9-23-26)21(27)24-16-7-5-8-17(13-16)25-22(28)15-11-18(29-2)20(31-4)19(12-15)30-3/h5-14H,1-4H3,(H,24,27)(H,25,28)
InChIKeyOUTLCYLIRJAGJU-UHFFFAOYSA-N
XLogP3.36
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 43068745
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 46427808) is 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is OUTLCYLIRJAGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-14(26-10-6-9-23-26)21(27)24-16-7-5-8-17(13-16)25-22(28)15-11-18(29-2)20(31-4)19(12-15)30-3/h5-14H,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 46427808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).