2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide

C6H7ClN4O3 — CID 1270477

IUPAC2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(N)=O
InChIInChI=1S/C6H7ClN4O3/c1-3-5(7)6(11(13)14)9-10(3)2-4(8)12/h2H2,1H3,(H2,8,12)
InChIKeyGBTBESVGVKLQJY-UHFFFAOYSA-N
MW218.60 g/mol
LogP0.24
Rot. Bonds3

About 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide

2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1270477) has the molecular formula C6H7ClN4O3 and a molecular weight of 218.60 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1270477
Molecular FormulaC6H7ClN4O3
Molecular Weight218.60 g/mol
Exact Mass218.02
IUPAC Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(N)=O
InChIInChI=1S/C6H7ClN4O3/c1-3-5(7)6(11(13)14)9-10(3)2-4(8)12/h2H2,1H3,(H2,8,12)
InChIKeyGBTBESVGVKLQJY-UHFFFAOYSA-N
XLogP0.24
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.60
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3099436
2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 2842286
(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
CID 1279585
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 702237
N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
CID 3104807
4-chloro-3-nitro-5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrazole
CID 749630
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
CID 3106236
2-(4-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-cyclohexyl-acetamide
CID 824587
2-(5-Methyl-3,4-dinitro-pyrazol-1-yl)-N-propyl-acetamide
CID 3104806
2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
CID 1207991
N-sec-Butyl-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 3099435
1-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)azepane
CID 813434

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1270477) is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1c(Cl)c([N+](=O)[O-])nn1CC(N)=O.
What is the InChIKey of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is GBTBESVGVKLQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O3/c1-3-5(7)6(11(13)14)9-10(3)2-4(8)12/h2H2,1H3,(H2,8,12).
What are the key properties of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 218.60 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1270477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).