5-(1-benzylpyrazol-4-yl)-3-oxopentanamide

C15H17N3O2 — CID 166794222

IUPAC5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
SMILESNC(=O)CC(=O)CCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H17N3O2/c16-15(20)8-14(19)7-6-13-9-17-18(11-13)10-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H2,16,20)
InChIKeyQVUMLTNMLWPWJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.31
Rot. Bonds7

About 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide

5-(1-benzylpyrazol-4-yl)-3-oxopentanamide (PubChem CID 166794222) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
PubChem CID166794222
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
SMILESNC(=O)CC(=O)CCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H17N3O2/c16-15(20)8-14(19)7-6-13-9-17-18(11-13)10-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H2,16,20)
InChIKeyQVUMLTNMLWPWJJ-UHFFFAOYSA-N
XLogP1.31
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
1-benzylpyrazole-4-carbohydrazide
CID 83386286
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
3-[(1-benzylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]propanoic acid
CID 119139161
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide (CID 166794222) is 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide is NC(=O)CC(=O)CCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide?
The InChIKey is QVUMLTNMLWPWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(20)8-14(19)7-6-13-9-17-18(11-13)10-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H2,16,20).
What are the key properties of 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide?
5-(1-benzylpyrazol-4-yl)-3-oxopentanamide has a molecular weight of 271.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-3-oxopentanamide is sourced from PubChem (CID 166794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).