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

C14H17N3O2 — CID 47282826

IUPAC4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
SMILESCOCCCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-19-10-2-3-14(18)16-12-6-4-11(5-7-12)13-8-9-15-17-13/h4-9H,2-3,10H2,1H3,(H,15,17)(H,16,18)
InChIKeyYDZHMLZVLSBEMY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.44
Rot. Bonds6

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

4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide (PubChem CID 47282826) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
PubChem CID47282826
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
SMILESCOCCCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-19-10-2-3-14(18)16-12-6-4-11(5-7-12)13-8-9-15-17-13/h4-9H,2-3,10H2,1H3,(H,15,17)(H,16,18)
InChIKeyYDZHMLZVLSBEMY-UHFFFAOYSA-N
XLogP2.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 97183865
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144
2-(4-ethoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779334
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
CID 70515718
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924427

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide (CID 47282826) is 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide is COCCCC(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The InChIKey is YDZHMLZVLSBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-10-2-3-14(18)16-12-6-4-11(5-7-12)13-8-9-15-17-13/h4-9H,2-3,10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 47282826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).