N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide

C14H13N5O3 — CID 842865

IUPACN-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H13N5O3/c20-14(9-18-8-12(7-16-18)19(21)22)15-6-11-5-10-3-1-2-4-13(10)17-11/h1-5,7-8,17H,6,9H2,(H,15,20)
InChIKeyWNCNHEOLLQNXAI-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.59
Rot. Bonds5

About N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 842865) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID842865
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H13N5O3/c20-14(9-18-8-12(7-16-18)19(21)22)15-6-11-5-10-3-1-2-4-13(10)17-11/h1-5,7-8,17H,6,9H2,(H,15,20)
InChIKeyWNCNHEOLLQNXAI-UHFFFAOYSA-N
XLogP1.59
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide 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-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 842865) is N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc2ccccc2[nH]1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is WNCNHEOLLQNXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-14(9-18-8-12(7-16-18)19(21)22)15-6-11-5-10-3-1-2-4-13(10)17-11/h1-5,7-8,17H,6,9H2,(H,15,20).
What are the key properties of N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 299.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 842865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).