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

C12H17ClN4O3 — CID 824587

IUPAC2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCCC1
InChIInChI=1S/C12H17ClN4O3/c1-8-11(13)12(17(19)20)15-16(8)7-10(18)14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,18)
InChIKeyQAZOUUYZBDZOCK-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.20
Rot. Bonds4

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

2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide (PubChem CID 824587) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide
PubChem CID824587
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCCC1
InChIInChI=1S/C12H17ClN4O3/c1-8-11(13)12(17(19)20)15-16(8)7-10(18)14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,18)
InChIKeyQAZOUUYZBDZOCK-UHFFFAOYSA-N
XLogP2.20
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.20
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
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylbutanamide
CID 757094
2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 2842286
N-Cyclohexyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 749619
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-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylacetamide
CID 1509848
2-(5-Methyl-3,4-dinitro-pyrazol-1-yl)-N-propyl-acetamide
CID 3104806
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
CID 3999809
N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 4170796

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide (CID 824587) is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide is Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide?
The InChIKey is QAZOUUYZBDZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-8-11(13)12(17(19)20)15-16(8)7-10(18)14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,18).
What are the key properties of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide?
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylacetamide has a molecular weight of 300.75 g/mol, XLogP of 2.20, 4 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)-N-cyclohexylacetamide is sourced from PubChem (CID 824587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).