N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide

C13H13N3O2 — CID 110463355

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
SMILESCc1cc(NC(=O)CC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H13N3O2/c1-9-7-12(16-15-9)14-13(18)8-11(17)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,18)
InChIKeyAUBJHTPZLRGZFG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide

N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide (PubChem CID 110463355) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
PubChem CID110463355
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
SMILESCc1cc(NC(=O)CC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H13N3O2/c1-9-7-12(16-15-9)14-13(18)8-11(17)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,18)
InChIKeyAUBJHTPZLRGZFG-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47289765
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110473163
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393
N-(5-methyl-1H-pyrazol-3-yl)-2-(1-phenylcyclopropyl)acetamide
CID 167932932
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 82668146
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 46860354

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide (CID 110463355) is N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide is Cc1cc(NC(=O)CC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide?
The InChIKey is AUBJHTPZLRGZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-7-12(16-15-9)14-13(18)8-11(17)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,18).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide?
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide has a molecular weight of 243.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110463355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).