N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide

C11H16N4O3 — CID 135803037

IUPACN-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H16N4O3/c16-11(9-7-10(14-13-9)15(17)18)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,12,16)(H,13,14)
InChIKeyMUYDTPPXKOXHIH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.77
Rot. Bonds3

About N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide

N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135803037) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135803037
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H16N4O3/c16-11(9-7-10(14-13-9)15(17)18)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,12,16)(H,13,14)
InChIKeyMUYDTPPXKOXHIH-UHFFFAOYSA-N
XLogP1.77
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.77
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

N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803048
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CID 47109350
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
5-nitro-1H-pyrazole-3-carboxylic acid
CID 86222684
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
N-cyclododecyl-4-nitrobenzamide
CID 19168070
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
4-chloro-N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803610
4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135567957

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide (CID 135803037) is N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide is O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is MUYDTPPXKOXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-11(9-7-10(14-13-9)15(17)18)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,12,16)(H,13,14).
What are the key properties of N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide?
N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135803037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).