3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide

C15H18N4O2 — CID 31921008

IUPAC3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C15H18N4O2/c1-11-4-3-5-12(8-11)15(21)16-7-6-14(20)18-13-9-17-19(2)10-13/h3-5,8-10H,6-7H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyCKSCXSJBGRDYAT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.49
Rot. Bonds5

About 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide

3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide (PubChem CID 31921008) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide
PubChem CID31921008
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C15H18N4O2/c1-11-4-3-5-12(8-11)15(21)16-7-6-14(20)18-13-9-17-19(2)10-13/h3-5,8-10H,6-7H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyCKSCXSJBGRDYAT-UHFFFAOYSA-N
XLogP1.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate
CID 168974407
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-[3-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17483763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide (CID 31921008) is 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide is Cc1cccc(C(=O)NCCC(=O)Nc2cnn(C)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is CKSCXSJBGRDYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-4-3-5-12(8-11)15(21)16-7-6-14(20)18-13-9-17-19(2)10-13/h3-5,8-10H,6-7H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide?
3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 31921008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).