(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone

C15H17N5O3 — CID 119375214

IUPAC(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
SMILESNC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1
InChIInChI=1S/C15H17N5O3/c16-11-4-7-18(8-5-11)15(21)14-6-9-19(17-14)12-2-1-3-13(10-12)20(22)23/h1-3,6,9-11H,4-5,7-8,16H2
InChIKeyGWHPTWTXCDTDKY-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.34
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone

(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone (PubChem CID 119375214) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
PubChem CID119375214
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
SMILESNC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1
InChIInChI=1S/C15H17N5O3/c16-11-4-7-18(8-5-11)15(21)14-6-9-19(17-14)12-2-1-3-13(10-12)20(22)23/h1-3,6,9-11H,4-5,7-8,16H2
InChIKeyGWHPTWTXCDTDKY-UHFFFAOYSA-N
XLogP1.34
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
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'}

Analyze (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 119411732
[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 110911462
N-cyclopropyl-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 55903130
N-[1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 34353997
[1-(3-nitrophenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996077
tert-butyl 4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 38469014
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
3-methyl-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256743
cyclopropyl-[3,3-dimethyl-4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 75400922
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 39928572
(2,4-dimethoxyphenyl)-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55905608
N-(2-aminoethyl)-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481071

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone (CID 119375214) is (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone is NC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
The InChIKey is GWHPTWTXCDTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c16-11-4-7-18(8-5-11)15(21)14-6-9-19(17-14)12-2-1-3-13(10-12)20(22)23/h1-3,6,9-11H,4-5,7-8,16H2.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone has a molecular weight of 315.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 119375214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).