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

C15H22ClN5O — CID 119394197

IUPACN-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H21N5O.ClH/c21-15(14-12-4-1-2-5-13(12)18-19-14)17-6-3-9-20-10-7-16-8-11-20;/h1-2,4-5,16H,3,6-11H2,(H,17,21)(H,18,19);1H
InChIKeyAWWIWBOHJPTFOV-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.01
Rot. Bonds5

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

N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119394197) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119394197
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC NameN-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H21N5O.ClH/c21-15(14-12-4-1-2-5-13(12)18-19-14)17-6-3-9-20-10-7-16-8-11-20;/h1-2,4-5,16H,3,6-11H2,(H,17,21)(H,18,19);1H
InChIKeyAWWIWBOHJPTFOV-UHFFFAOYSA-N
XLogP1.01
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119391354
N-(3-piperazin-1-ylpropyl)isoquinoline-1-carboxamide;dihydrochloride
CID 119392304
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749
N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
CID 38464745
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride (CID 119394197) is N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is AWWIWBOHJPTFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c21-15(14-12-4-1-2-5-13(12)18-19-14)17-6-3-9-20-10-7-16-8-11-20;/h1-2,4-5,16H,3,6-11H2,(H,17,21)(H,18,19);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119394197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).