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

C10H12N6O3 — CID 19521589

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCn1nccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H12N6O3/c1-14-8(2-4-12-14)6-11-10(17)7-15-5-3-9(13-15)16(18)19/h2-5H,6-7H2,1H3,(H,11,17)
InChIKeyZTBDVEBHCZPDQL-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.16
Rot. Bonds5

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

N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521589) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521589
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCn1nccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H12N6O3/c1-14-8(2-4-12-14)6-11-10(17)7-15-5-3-9(13-15)16(18)19/h2-5H,6-7H2,1H3,(H,11,17)
InChIKeyZTBDVEBHCZPDQL-UHFFFAOYSA-N
XLogP-0.16
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.16
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'}

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Related Compounds

N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521721
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19557805
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 48506880
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120652830

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 19521589) is N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide is Cn1nccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is ZTBDVEBHCZPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-14-8(2-4-12-14)6-11-10(17)7-15-5-3-9(13-15)16(18)19/h2-5H,6-7H2,1H3,(H,11,17).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 264.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).