5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride

C15H21ClN6O3 — CID 119391354

IUPAC5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H20N6O3.ClH/c22-15(17-4-1-7-20-8-5-16-6-9-20)14-12-10-11(21(23)24)2-3-13(12)18-19-14;/h2-3,10,16H,1,4-9H2,(H,17,22)(H,18,19);1H
InChIKeyCGQQFLCZAUZGDM-UHFFFAOYSA-N
MW368.83 g/mol
LogP0.92
Rot. Bonds6

About 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride

5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119391354) has the molecular formula C15H21ClN6O3 and a molecular weight of 368.83 g/mol. Its IUPAC name is 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119391354
Molecular FormulaC15H21ClN6O3
Molecular Weight368.83 g/mol
Exact Mass368.14
IUPAC Name5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H20N6O3.ClH/c22-15(17-4-1-7-20-8-5-16-6-9-20)14-12-10-11(21(23)24)2-3-13(12)18-19-14;/h2-3,10,16H,1,4-9H2,(H,17,22)(H,18,19);1H
InChIKeyCGQQFLCZAUZGDM-UHFFFAOYSA-N
XLogP0.92
TPSA116.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 50.92
H-Bond Donors ≤ 53
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

N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
2-bromo-4-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392673
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 86946002
5-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide
CID 120811569
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394311
N-[2-[(R)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767269
N-[2-[(S)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767268
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
2-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119393005
3-methylsulfonyl-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394489

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride (CID 119391354) is 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is CGQQFLCZAUZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3.ClH/c22-15(17-4-1-7-20-8-5-16-6-9-20)14-12-10-11(21(23)24)2-3-13(12)18-19-14;/h2-3,10,16H,1,4-9H2,(H,17,22)(H,18,19);1H.
What are the key properties of 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 368.83 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119391354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).