(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride

C12H20ClN5O3 — CID 119375799

IUPAC(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCCCc1[nH]nc(C(=O)N2CCC(N)CC2)c1[N+](=O)[O-].Cl
InChIInChI=1S/C12H19N5O3.ClH/c1-2-3-9-11(17(19)20)10(15-14-9)12(18)16-6-4-8(13)5-7-16;/h8H,2-7,13H2,1H3,(H,14,15);1H
InChIKeyVOXLQVAAMDWFOH-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.26
Rot. Bonds4

About (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride (PubChem CID 119375799) has the molecular formula C12H20ClN5O3 and a molecular weight of 317.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride
PubChem CID119375799
Molecular FormulaC12H20ClN5O3
Molecular Weight317.78 g/mol
Exact Mass317.13
IUPAC Name(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCCCc1[nH]nc(C(=O)N2CCC(N)CC2)c1[N+](=O)[O-].Cl
InChIInChI=1S/C12H19N5O3.ClH/c1-2-3-9-11(17(19)20)10(15-14-9)12(18)16-6-4-8(13)5-7-16;/h8H,2-7,13H2,1H3,(H,14,15);1H
InChIKeyVOXLQVAAMDWFOH-UHFFFAOYSA-N
XLogP1.26
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.26
H-Bond Donors ≤ 52
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

1H-Pyrazole-3-carboxamide, 5-methyl-N-(3-methylbutyl)-4-nitro-
CID 3061960
4-nitro-3-propyl-1H-pyrazole-5-carboxamide
CID 16780412
N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 314822
5-ethyl-4-nitro-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68959997
5-methyl-4-nitro-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 70472411
4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075316
4-amino-N,5-dipropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075317
4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075939
(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 62076099
4-amino-N-cyclopropyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62076800
4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62077101
4-amino-N-methyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62077253

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride (CID 119375799) is (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride is CCCc1[nH]nc(C(=O)N2CCC(N)CC2)c1[N+](=O)[O-].Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The InChIKey is VOXLQVAAMDWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3.ClH/c1-2-3-9-11(17(19)20)10(15-14-9)12(18)16-6-4-8(13)5-7-16;/h8H,2-7,13H2,1H3,(H,14,15);1H.
What are the key properties of (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).