2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C12H14N4O — CID 62500320

IUPAC2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESNc1cccc(CC(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C12H14N4O/c13-10-3-1-2-9(6-10)7-12(17)14-8-11-4-5-15-16-11/h1-6H,7-8,13H2,(H,14,17)(H,15,16)
InChIKeySYXDRZLVLJHYDH-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.85
Rot. Bonds4

About 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 62500320) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID62500320
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESNc1cccc(CC(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C12H14N4O/c13-10-3-1-2-9(6-10)7-12(17)14-8-11-4-5-15-16-11/h1-6H,7-8,13H2,(H,14,17)(H,15,16)
InChIKeySYXDRZLVLJHYDH-UHFFFAOYSA-N
XLogP0.85
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)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-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
3-(1H-pyrazol-5-ylmethyl)aniline
CID 96630636
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60975429

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 62500320) is 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is Nc1cccc(CC(=O)NCc2ccn[nH]2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is SYXDRZLVLJHYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-3-1-2-9(6-10)7-12(17)14-8-11-4-5-15-16-11/h1-6H,7-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 62500320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).