2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide

C13H15N3O2 — CID 101148243

IUPAC2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C2=NNC(=O)C2)cc1
InChIInChI=1S/C13H15N3O2/c1-8(2)13(18)14-10-5-3-9(4-6-10)11-7-12(17)16-15-11/h3-6,8H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyTUVHJWRJBNFHEB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.51
Rot. Bonds3

About 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide

2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide (PubChem CID 101148243) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
PubChem CID101148243
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C2=NNC(=O)C2)cc1
InChIInChI=1S/C13H15N3O2/c1-8(2)13(18)14-10-5-3-9(4-6-10)11-7-12(17)16-15-11/h3-6,8H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyTUVHJWRJBNFHEB-UHFFFAOYSA-N
XLogP1.51
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 102554949
N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
CID 168654344
2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide
CID 23458541
N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
CID 135879243
3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 4778793
2-[[4-(5-oxo-1,4-dihydropyrazol-3-yl)anilino]methylidene]propanedinitrile
CID 168542305
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
CID 605366
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
2-methyl-N-[4-[2-(2-thiophen-2-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135877232
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805018
2-methyl-N-(4-pyridin-2-ylphenyl)propanamide
CID 110459868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide (CID 101148243) is 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(C2=NNC(=O)C2)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide?
The InChIKey is TUVHJWRJBNFHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)13(18)14-10-5-3-9(4-6-10)11-7-12(17)16-15-11/h3-6,8H,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide?
2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide has a molecular weight of 245.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 101148243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).