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

C20H20N4O2 — CID 42958661

IUPAC2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1
InChIInChI=1S/C20H20N4O2/c1-14-7-3-4-10-18(14)20(26)23-17-9-5-8-16(13-17)22-19(25)15(2)24-12-6-11-21-24/h3-13,15H,1-2H3,(H,22,25)(H,23,26)
InChIKeyJKCCMOPBUCSUCO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.64
Rot. Bonds5

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

2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 42958661) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID42958661
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1
InChIInChI=1S/C20H20N4O2/c1-14-7-3-4-10-18(14)20(26)23-17-9-5-8-16(13-17)22-19(25)15(2)24-12-6-11-21-24/h3-13,15H,1-2H3,(H,22,25)(H,23,26)
InChIKeyJKCCMOPBUCSUCO-UHFFFAOYSA-N
XLogP3.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 60567572
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 42958661) is 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1.
What is the InChIKey of 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is JKCCMOPBUCSUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-7-3-4-10-18(14)20(26)23-17-9-5-8-16(13-17)22-19(25)15(2)24-12-6-11-21-24/h3-13,15H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 42958661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).