5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride

C15H22ClN5O2 — CID 119393280

IUPAC5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H21N5O2.ClH/c21-15(17-4-2-7-20-8-5-16-6-9-20)13-11-12(18-19-13)14-3-1-10-22-14;/h1,3,10-11,16H,2,4-9H2,(H,17,21)(H,18,19);1H
InChIKeyDWJYZODQCYRUOK-UHFFFAOYSA-N
MW339.83 g/mol
LogP1.12
Rot. Bonds6

About 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride

5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119393280) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119393280
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H21N5O2.ClH/c21-15(17-4-2-7-20-8-5-16-6-9-20)13-11-12(18-19-13)14-3-1-10-22-14;/h1,3,10-11,16H,2,4-9H2,(H,17,21)(H,18,19);1H
InChIKeyDWJYZODQCYRUOK-UHFFFAOYSA-N
XLogP1.12
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895
5-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119391192
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036753
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 119445716
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119393013
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 119393280) is 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is DWJYZODQCYRUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.ClH/c21-15(17-4-2-7-20-8-5-16-6-9-20)13-11-12(18-19-13)14-3-1-10-22-14;/h1,3,10-11,16H,2,4-9H2,(H,17,21)(H,18,19);1H.
What are the key properties of 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride?
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119393280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).