N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C12H16N6O3 — CID 3106249

IUPACN-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C12H16N6O3/c1-10-7-11(18(20)21)15-17(10)8-12(19)14-3-2-5-16-6-4-13-9-16/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,19)
InChIKeySMMQXBJDCUFAGJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.50
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 3106249) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID3106249
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C12H16N6O3/c1-10-7-11(18(20)21)15-17(10)8-12(19)14-3-2-5-16-6-4-13-9-16/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,19)
InChIKeySMMQXBJDCUFAGJ-UHFFFAOYSA-N
XLogP0.50
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 3106249) is N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is SMMQXBJDCUFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-10-7-11(18(20)21)15-17(10)8-12(19)14-3-2-5-16-6-4-13-9-16/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 3106249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).