piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride

C14H17ClN4O — CID 119401221

IUPACpiperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(-n2cccn2)cc1)N1CCNCC1
InChIInChI=1S/C14H16N4O.ClH/c19-14(17-10-7-15-8-11-17)12-2-4-13(5-3-12)18-9-1-6-16-18;/h1-6,9,15H,7-8,10-11H2;1H
InChIKeyWUXDCVASJCGHIW-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.34
Rot. Bonds2

About piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride

piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride (PubChem CID 119401221) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
PubChem CID119401221
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Namepiperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(-n2cccn2)cc1)N1CCNCC1
InChIInChI=1S/C14H16N4O.ClH/c19-14(17-10-7-15-8-11-17)12-2-4-13(5-3-12)18-9-1-6-16-18;/h1-6,9,15H,7-8,10-11H2;1H
InChIKeyWUXDCVASJCGHIW-UHFFFAOYSA-N
XLogP1.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 31927908
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
1,4-diazepan-1-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone
CID 119414516
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The IUPAC name of piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride (CID 119401221) is piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride is Cl.O=C(c1ccc(-n2cccn2)cc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The InChIKey is WUXDCVASJCGHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c19-14(17-10-7-15-8-11-17)12-2-4-13(5-3-12)18-9-1-6-16-18;/h1-6,9,15H,7-8,10-11H2;1H.
What are the key properties of piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119401221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).