N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide

C11H16N4O3 — CID 1236011

IUPACN-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)NC2CCCC2)nn1C
InChIInChI=1S/C11H16N4O3/c1-7-10(15(17)18)9(13-14(7)2)11(16)12-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,12,16)
InChIKeyGVEGMMFKEXARDI-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.31
Rot. Bonds3

About N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide

N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide (PubChem CID 1236011) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
PubChem CID1236011
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)NC2CCCC2)nn1C
InChIInChI=1S/C11H16N4O3/c1-7-10(15(17)18)9(13-14(7)2)11(16)12-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,12,16)
InChIKeyGVEGMMFKEXARDI-UHFFFAOYSA-N
XLogP1.31
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.31
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 N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CID 1236011) is N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide is Cc1c([N+](=O)[O-])c(C(=O)NC2CCCC2)nn1C.
What is the InChIKey of N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The InChIKey is GVEGMMFKEXARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-10(15(17)18)9(13-14(7)2)11(16)12-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,12,16).
What are the key properties of N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 1236011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).