5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide

C17H21ClN4O2 — CID 51090118

IUPAC5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C17H21ClN4O2/c1-10-13(11(2)22(4)21-10)6-8-16(23)20-15-7-5-12(18)9-14(15)17(24)19-3/h5,7,9H,6,8H2,1-4H3,(H,19,24)(H,20,23)
InChIKeyDTFGQXCZRQMLJZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.62
Rot. Bonds5

About 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide

5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide (PubChem CID 51090118) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
PubChem CID51090118
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C17H21ClN4O2/c1-10-13(11(2)22(4)21-10)6-8-16(23)20-15-7-5-12(18)9-14(15)17(24)19-3/h5,7,9H,6,8H2,1-4H3,(H,19,24)(H,20,23)
InChIKeyDTFGQXCZRQMLJZ-UHFFFAOYSA-N
XLogP2.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099093
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
N-(2-amino-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119421250
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 55805084
4-chloro-2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
The IUPAC name of 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide (CID 51090118) is 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide.
What is the SMILES notation for 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
The canonical SMILES for 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide is CNC(=O)c1cc(Cl)ccc1NC(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
The InChIKey is DTFGQXCZRQMLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10-13(11(2)22(4)21-10)6-8-16(23)20-15-7-5-12(18)9-14(15)17(24)19-3/h5,7,9H,6,8H2,1-4H3,(H,19,24)(H,20,23).
What are the key properties of 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide?
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide has a molecular weight of 348.83 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 51090118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).