3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

C20H20N4O3 — CID 42958662

IUPAC3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1
InChIInChI=1S/C20H20N4O3/c1-14(24-11-5-10-21-24)19(25)22-16-7-4-8-17(13-16)23-20(26)15-6-3-9-18(12-15)27-2/h3-14H,1-2H3,(H,22,25)(H,23,26)
InChIKeyOMLPKXYRRZUYJH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.34
Rot. Bonds6

About 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 42958662) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID42958662
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1
InChIInChI=1S/C20H20N4O3/c1-14(24-11-5-10-21-24)19(25)22-16-7-4-8-17(13-16)23-20(26)15-6-3-9-18(12-15)27-2/h3-14H,1-2H3,(H,22,25)(H,23,26)
InChIKeyOMLPKXYRRZUYJH-UHFFFAOYSA-N
XLogP3.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
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
5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 78867824
3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 43068745
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 42958662) is 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is OMLPKXYRRZUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(24-11-5-10-21-24)19(25)22-16-7-4-8-17(13-16)23-20(26)15-6-3-9-18(12-15)27-2/h3-14H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 42958662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).