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

C21H23N5O2 — CID 46427767

IUPAC3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCC(C(=O)Nc1cccc(NC(=O)c2cccc(N(C)C)c2)c1)n1cccn1
InChIInChI=1S/C21H23N5O2/c1-15(26-12-6-11-22-26)20(27)23-17-8-5-9-18(14-17)24-21(28)16-7-4-10-19(13-16)25(2)3/h4-15H,1-3H3,(H,23,27)(H,24,28)
InChIKeyOKZRVBWJKPVQQO-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.40
Rot. Bonds6

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

3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 46427767) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID46427767
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCC(C(=O)Nc1cccc(NC(=O)c2cccc(N(C)C)c2)c1)n1cccn1
InChIInChI=1S/C21H23N5O2/c1-15(26-12-6-11-22-26)20(27)23-17-8-5-9-18(14-17)24-21(28)16-7-4-10-19(13-16)25(2)3/h4-15H,1-3H3,(H,23,27)(H,24,28)
InChIKeyOKZRVBWJKPVQQO-UHFFFAOYSA-N
XLogP3.40
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
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
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 46427767) is 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is CC(C(=O)Nc1cccc(NC(=O)c2cccc(N(C)C)c2)c1)n1cccn1.
What is the InChIKey of 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is OKZRVBWJKPVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(26-12-6-11-22-26)20(27)23-17-8-5-9-18(14-17)24-21(28)16-7-4-10-19(13-16)25(2)3/h4-15H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 46427767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).