N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide

C21H22N4O2 — CID 21369239

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C21H22N4O2/c1-4-19(26)22-17-10-8-9-16(13-17)21(27)23-20-14(2)24-25(15(20)3)18-11-6-5-7-12-18/h5-13H,4H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyRBKBCKPDSZQETA-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.09
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide (PubChem CID 21369239) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
PubChem CID21369239
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C21H22N4O2/c1-4-19(26)22-17-10-8-9-16(13-17)21(27)23-20-14(2)24-25(15(20)3)18-11-6-5-7-12-18/h5-13H,4H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyRBKBCKPDSZQETA-UHFFFAOYSA-N
XLogP4.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
methyl 3-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzoate
CID 34067313
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945
N-[3-[1-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 46688160
N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 21369238
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 99164246
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 21369241
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 37474549
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 16575237

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide (CID 21369239) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide?
The InChIKey is RBKBCKPDSZQETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-19(26)22-17-10-8-9-16(13-17)21(27)23-20-14(2)24-25(15(20)3)18-11-6-5-7-12-18/h5-13H,4H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide has a molecular weight of 362.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 21369239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).