3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide

C13H13N3O2 — CID 61248448

IUPAC3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
SMILESCC(=O)CC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H13N3O2/c1-9(17)8-13(18)15-11-4-2-10(3-5-11)12-6-7-14-16-12/h2-7H,8H2,1H3,(H,14,16)(H,15,18)
InChIKeyNWAXRNCWGXSMOD-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.99
Rot. Bonds4

About 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide

3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide (PubChem CID 61248448) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
PubChem CID61248448
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
SMILESCC(=O)CC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H13N3O2/c1-9(17)8-13(18)15-11-4-2-10(3-5-11)12-6-7-14-16-12/h2-7H,8H2,1H3,(H,14,16)(H,15,18)
InChIKeyNWAXRNCWGXSMOD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924427
2-(4-ethoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779334
3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 81470210
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
CID 169466178
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
CID 61284929

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The IUPAC name of 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide (CID 61248448) is 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide is CC(=O)CC(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The InChIKey is NWAXRNCWGXSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(17)8-13(18)15-11-4-2-10(3-5-11)12-6-7-14-16-12/h2-7H,8H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide has a molecular weight of 243.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 61248448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).