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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Related Compounds

1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide
CID 2754492
N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 1220992
N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9291211
4-nitro-1,5-dimethyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844675
N-cyclohexyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 831737
3-tert-butyl-N,N-diethyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 918936
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5040743
N,3-di-tert-butyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 917557
3-tert-butyl-N-cyclohexyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 917453
N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 314822
1H-Pyrazole-3-carboxamide, 5-methyl-N-(3-methylbutyl)-4-nitro-
CID 3061960

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).