2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C12H20ClN5O3 — CID 119555257

IUPAC2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1ccc([N+](=O)[O-])n1)NCCC1CCCNC1
InChIInChI=1S/C12H19N5O3.ClH/c18-12(9-16-7-4-11(15-16)17(19)20)14-6-3-10-2-1-5-13-8-10;/h4,7,10,13H,1-3,5-6,8-9H2,(H,14,18);1H
InChIKeyGGVLMTOAOJNPPW-UHFFFAOYSA-N
MW317.78 g/mol
LogP0.72
Rot. Bonds6

About 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119555257) has the molecular formula C12H20ClN5O3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119555257
Molecular FormulaC12H20ClN5O3
Molecular Weight317.78 g/mol
Exact Mass317.13
IUPAC Name2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1ccc([N+](=O)[O-])n1)NCCC1CCCNC1
InChIInChI=1S/C12H19N5O3.ClH/c18-12(9-16-7-4-11(15-16)17(19)20)14-6-3-10-2-1-5-13-8-10;/h4,7,10,13H,1-3,5-6,8-9H2,(H,14,18);1H
InChIKeyGGVLMTOAOJNPPW-UHFFFAOYSA-N
XLogP0.72
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 50.72
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-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557505
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557506
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557911
2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
CID 119536549
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 129465854
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119555257) is 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(Cn1ccc([N+](=O)[O-])n1)NCCC1CCCNC1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is GGVLMTOAOJNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3.ClH/c18-12(9-16-7-4-11(15-16)17(19)20)14-6-3-10-2-1-5-13-8-10;/h4,7,10,13H,1-3,5-6,8-9H2,(H,14,18);1H.
What are the key properties of 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119555257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).