2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide

C10H11ClN6O3 — CID 19281846

IUPAC2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11ClN6O3/c11-8-3-13-16(5-8)7-10(18)12-1-2-15-6-9(4-14-15)17(19)20/h3-6H,1-2,7H2,(H,12,18)
InChIKeySOTQXQZZCLNLIX-UHFFFAOYSA-N
MW298.69 g/mol
LogP0.46
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide

2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide (PubChem CID 19281846) has the molecular formula C10H11ClN6O3 and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
PubChem CID19281846
Molecular FormulaC10H11ClN6O3
Molecular Weight298.69 g/mol
Exact Mass298.06
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11ClN6O3/c11-8-3-13-16(5-8)7-10(18)12-1-2-15-6-9(4-14-15)17(19)20/h3-6H,1-2,7H2,(H,12,18)
InChIKeySOTQXQZZCLNLIX-UHFFFAOYSA-N
XLogP0.46
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
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

2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 19281860
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622359
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19588620
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516128
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
CID 7343395
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide (CID 19281846) is 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide is O=C(Cn1cc(Cl)cn1)NCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide?
The InChIKey is SOTQXQZZCLNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O3/c11-8-3-13-16(5-8)7-10(18)12-1-2-15-6-9(4-14-15)17(19)20/h3-6H,1-2,7H2,(H,12,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide?
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide has a molecular weight of 298.69 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 19281846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).