N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

C12H16N6O3 — CID 19522147

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(C)cc1CNC(=O)Cn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C12H16N6O3/c1-8-10(5-16(3)14-8)4-13-12(19)7-17-6-11(18(20)21)9(2)15-17/h5-6H,4,7H2,1-3H3,(H,13,19)
InChIKeyOALDHRHVIDBXPM-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.46
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19522147) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19522147
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(C)cc1CNC(=O)Cn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C12H16N6O3/c1-8-10(5-16(3)14-8)4-13-12(19)7-17-6-11(18(20)21)9(2)15-17/h5-6H,4,7H2,1-3H3,(H,13,19)
InChIKeyOALDHRHVIDBXPM-UHFFFAOYSA-N
XLogP0.46
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.46
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-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19621086
N-hexyl-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522099
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19333218
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19529030
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479545
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 115989525
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (CID 19522147) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(C)cc1CNC(=O)Cn1cc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is OALDHRHVIDBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-8-10(5-16(3)14-8)4-13-12(19)7-17-6-11(18(20)21)9(2)15-17/h5-6H,4,7H2,1-3H3,(H,13,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).