N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide

C14H17N3O2S — CID 71867261

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide
SMILESCn1cc(C(C)(O)CNC(=O)C=Cc2ccsc2)cn1
InChIInChI=1S/C14H17N3O2S/c1-14(19,12-7-16-17(2)8-12)10-15-13(18)4-3-11-5-6-20-9-11/h3-9,19H,10H2,1-2H3,(H,15,18)
InChIKeyWZYVGOHIDSCUQZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.52
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 71867261) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID71867261
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide
SMILESCn1cc(C(C)(O)CNC(=O)C=Cc2ccsc2)cn1
InChIInChI=1S/C14H17N3O2S/c1-14(19,12-7-16-17(2)8-12)10-15-13(18)4-3-11-5-6-20-9-11/h3-9,19H,10H2,1-2H3,(H,15,18)
InChIKeyWZYVGOHIDSCUQZ-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide 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-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide (CID 71867261) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide is Cn1cc(C(C)(O)CNC(=O)C=Cc2ccsc2)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is WZYVGOHIDSCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(19,12-7-16-17(2)8-12)10-15-13(18)4-3-11-5-6-20-9-11/h3-9,19H,10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 291.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 71867261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).