N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide

C14H15N3O — CID 169466178

IUPACN-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O/c1-11(18)15-9-2-3-12-4-6-13(7-5-12)14-8-10-16-17-14/h2-8,10H,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyHUDNILLBNLTQJH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.23
Rot. Bonds4

About N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide

N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide (PubChem CID 169466178) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
PubChem CID169466178
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O/c1-11(18)15-9-2-3-12-4-6-13(7-5-12)14-8-10-16-17-14/h2-8,10H,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyHUDNILLBNLTQJH-UHFFFAOYSA-N
XLogP2.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide 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

N-[3-[4-(1H-imidazol-5-yl)phenyl]prop-2-enyl]acetamide
CID 169466179
benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
CID 169472339
S-[4-[4-(1H-pyrazol-5-yl)phenyl]but-3-enyl] ethanethioate
CID 170480842
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole
CID 70413640
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
4-[4-(1H-pyrazol-5-yl)phenyl]but-3-en-1-amine
CID 170487633
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide (CID 169466178) is N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide?
The InChIKey is HUDNILLBNLTQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11(18)15-9-2-3-12-4-6-13(7-5-12)14-8-10-16-17-14/h2-8,10H,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide?
N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide has a molecular weight of 241.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).