N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide

C15H19N3O2 — CID 75393431

IUPACN-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide
SMILESCCC(NC(=O)CCn1cccn1)c1ccccc1O
InChIInChI=1S/C15H19N3O2/c1-2-13(12-6-3-4-7-14(12)19)17-15(20)8-11-18-10-5-9-16-18/h3-7,9-10,13,19H,2,8,11H2,1H3,(H,17,20)
InChIKeyLNCMDQIWRAHHHR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.25
Rot. Bonds6

About N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide

N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide (PubChem CID 75393431) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide
PubChem CID75393431
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide
SMILESCCC(NC(=O)CCn1cccn1)c1ccccc1O
InChIInChI=1S/C15H19N3O2/c1-2-13(12-6-3-4-7-14(12)19)17-15(20)8-11-18-10-5-9-16-18/h3-7,9-10,13,19H,2,8,11H2,1H3,(H,17,20)
InChIKeyLNCMDQIWRAHHHR-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide (CID 75393431) is N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide is CCC(NC(=O)CCn1cccn1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is LNCMDQIWRAHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-13(12-6-3-4-7-14(12)19)17-15(20)8-11-18-10-5-9-16-18/h3-7,9-10,13,19H,2,8,11H2,1H3,(H,17,20).
What are the key properties of N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide?
N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 75393431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).