N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide

C10H12N6O3 — CID 63938690

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H12N6O3/c1-14(6-8-11-3-4-12-8)10(17)7-15-5-2-9(13-15)16(18)19/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyZJPHSRHDFYZKDA-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.17
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 63938690) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID63938690
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H12N6O3/c1-14(6-8-11-3-4-12-8)10(17)7-15-5-2-9(13-15)16(18)19/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyZJPHSRHDFYZKDA-UHFFFAOYSA-N
XLogP0.17
TPSA109.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide (CID 63938690) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide is CN(Cc1ncc[nH]1)C(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is ZJPHSRHDFYZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-14(6-8-11-3-4-12-8)10(17)7-15-5-2-9(13-15)16(18)19/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 264.24 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 63938690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).