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

C11H15ClN4O3 — CID 19529272

IUPAC2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCC1
InChIInChI=1S/C11H15ClN4O3/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,13,17)
InChIKeyYRVBGURWCOHGBP-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.81
Rot. Bonds4

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

2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide (PubChem CID 19529272) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide
PubChem CID19529272
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCC1
InChIInChI=1S/C11H15ClN4O3/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,13,17)
InChIKeyYRVBGURWCOHGBP-UHFFFAOYSA-N
XLogP1.81
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide (CID 19529272) is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide is Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide?
The InChIKey is YRVBGURWCOHGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,13,17).
What are the key properties of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide?
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-cyclopentylacetamide has a molecular weight of 286.72 g/mol, XLogP of 1.81, 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-cyclopentylacetamide is sourced from PubChem (CID 19529272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).