4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide

C9H11ClN4O3 — CID 135567957

IUPAC4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c([N+](=O)[O-])c1Cl
InChIInChI=1S/C9H11ClN4O3/c10-6-7(12-13-8(6)14(16)17)9(15)11-5-3-1-2-4-5/h5H,1-4H2,(H,11,15)(H,12,13)
InChIKeyNYNBNZLIIAISNJ-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.64
Rot. Bonds3

About 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide

4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135567957) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135567957
Molecular FormulaC9H11ClN4O3
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c([N+](=O)[O-])c1Cl
InChIInChI=1S/C9H11ClN4O3/c10-6-7(12-13-8(6)14(16)17)9(15)11-5-3-1-2-4-5/h5H,1-4H2,(H,11,15)(H,12,13)
InChIKeyNYNBNZLIIAISNJ-UHFFFAOYSA-N
XLogP1.64
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803610
4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide
CID 135645599
4-chloro-N-[2-(diethylamino)ethyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803768
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803037
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
CID 135803518
4-chloro-5-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 135505052
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
4-chloro-N-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide (CID 135567957) is 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide is O=C(NC1CCCC1)c1n[nH]c([N+](=O)[O-])c1Cl.
What is the InChIKey of 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is NYNBNZLIIAISNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c10-6-7(12-13-8(6)14(16)17)9(15)11-5-3-1-2-4-5/h5H,1-4H2,(H,11,15)(H,12,13).
What are the key properties of 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 258.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135567957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).