2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C11H14N6O3 — CID 19521275

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCc1cnn(C)c1
InChIInChI=1S/C11H14N6O3/c1-8-3-10(17(19)20)14-16(8)7-11(18)12-4-9-5-13-15(2)6-9/h3,5-6H,4,7H2,1-2H3,(H,12,18)
InChIKeyHTBPEUDKZFWXQX-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.15
Rot. Bonds5

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19521275) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19521275
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCc1cnn(C)c1
InChIInChI=1S/C11H14N6O3/c1-8-3-10(17(19)20)14-16(8)7-11(18)12-4-9-5-13-15(2)6-9/h3,5-6H,4,7H2,1-2H3,(H,12,18)
InChIKeyHTBPEUDKZFWXQX-UHFFFAOYSA-N
XLogP0.15
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]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

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19516555
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521433
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 5301950
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19521281
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitropyrazole-3-carboxamide
CID 19266472
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
3-(4-chloro-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 4768899
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521391
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521341
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
CID 19283125
2-(3-methyl-4-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533089

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 19521275) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1cnn(C)c1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is HTBPEUDKZFWXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-8-3-10(17(19)20)14-16(8)7-11(18)12-4-9-5-13-15(2)6-9/h3,5-6H,4,7H2,1-2H3,(H,12,18).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19521275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).