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

C14H20N6O3 — CID 19530551

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc(C)cc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C14H20N6O3/c1-5-18-7-12(11(4)17-18)10(3)15-13(21)8-19-14(20(22)23)6-9(2)16-19/h6-7,10H,5,8H2,1-4H3,(H,15,21)
InChIKeyZHAHUSRTTXIBTJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.50
Rot. Bonds6

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

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (PubChem CID 19530551) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
PubChem CID19530551
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc(C)cc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C14H20N6O3/c1-5-18-7-12(11(4)17-18)10(3)15-13(21)8-19-14(20(22)23)6-9(2)16-19/h6-7,10H,5,8H2,1-4H3,(H,15,21)
InChIKeyZHAHUSRTTXIBTJ-UHFFFAOYSA-N
XLogP1.50
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (CID 19530551) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is CCn1cc(C(C)NC(=O)Cn2nc(C)cc2[N+](=O)[O-])c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The InChIKey is ZHAHUSRTTXIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-5-18-7-12(11(4)17-18)10(3)15-13(21)8-19-14(20(22)23)6-9(2)16-19/h6-7,10H,5,8H2,1-4H3,(H,15,21).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19530551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).