2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C11H18ClN5O3 — CID 119454304

IUPAC2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NC1CCNC1)n1cc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C11H17N5O3.ClH/c1-11(2,10(17)14-8-3-4-12-5-8)15-7-9(6-13-15)16(18)19;/h6-8,12H,3-5H2,1-2H3,(H,14,17);1H
InChIKeyFLHVXUXLSQCZNP-UHFFFAOYSA-N
MW303.75 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119454304) has the molecular formula C11H18ClN5O3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119454304
Molecular FormulaC11H18ClN5O3
Molecular Weight303.75 g/mol
Exact Mass303.11
IUPAC Name2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NC1CCNC1)n1cc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C11H17N5O3.ClH/c1-11(2,10(17)14-8-3-4-12-5-8)15-7-9(6-13-15)16(18)19;/h6-8,12H,3-5H2,1-2H3,(H,14,17);1H
InChIKeyFLHVXUXLSQCZNP-UHFFFAOYSA-N
XLogP0.43
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide
CID 119429214
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119459576
2-methyl-2-(4-nitropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813654
(2S)-2-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]propanoic acid
CID 119238416
2-methyl-2-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697796
1-cyclopropylethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 75395080
1-[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166615
N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
CID 120556078
4-nitro-1-propan-2-yl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62378968
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166
3-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]phenyl]prop-2-enoic acid
CID 91943301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119454304) is 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is CC(C)(C(=O)NC1CCNC1)n1cc([N+](=O)[O-])cn1.Cl.
What is the InChIKey of 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is FLHVXUXLSQCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3.ClH/c1-11(2,10(17)14-8-3-4-12-5-8)15-7-9(6-13-15)16(18)19;/h6-8,12H,3-5H2,1-2H3,(H,14,17);1H.
What are the key properties of 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 303.75 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119454304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).