2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C14H21N5O4 — CID 5040743

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1nn(CC(=O)NCCCN2CCCC2=O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N5O4/c1-10-14(19(22)23)11(2)18(16-10)9-12(20)15-6-4-8-17-7-3-5-13(17)21/h3-9H2,1-2H3,(H,15,20)
InChIKeyNGZRVOYKKHAWNP-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.54
Rot. Bonds7

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 5040743) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID5040743
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1nn(CC(=O)NCCCN2CCCC2=O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N5O4/c1-10-14(19(22)23)11(2)18(16-10)9-12(20)15-6-4-8-17-7-3-5-13(17)21/h3-9H2,1-2H3,(H,15,20)
InChIKeyNGZRVOYKKHAWNP-UHFFFAOYSA-N
XLogP0.54
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2984724
N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9291211
N-cyclopentyl-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 1236011
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9363225
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetate
CID 2077906
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4869766
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 749080
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2860085
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide
CID 50962692

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 5040743) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1nn(CC(=O)NCCCN2CCCC2=O)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is NGZRVOYKKHAWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-10-14(19(22)23)11(2)18(16-10)9-12(20)15-6-4-8-17-7-3-5-13(17)21/h3-9H2,1-2H3,(H,15,20).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 5040743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).