(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C15H18BrClN4O — CID 119473594

IUPAC(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl
InChIInChI=1S/C15H17BrN4O.ClH/c1-10-9-17-7-8-20(10)15(21)14-12(16)13(18-19-14)11-5-3-2-4-6-11;/h2-6,10,17H,7-9H2,1H3,(H,18,19);1H
InChIKeyINMWUUHLOLDDII-UHFFFAOYSA-N
MW385.69 g/mol
LogP2.69
Rot. Bonds2

About (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119473594) has the molecular formula C15H18BrClN4O and a molecular weight of 385.69 g/mol. Its IUPAC name is (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119473594
Molecular FormulaC15H18BrClN4O
Molecular Weight385.69 g/mol
Exact Mass384.04
IUPAC Name(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl
InChIInChI=1S/C15H17BrN4O.ClH/c1-10-9-17-7-8-20(10)15(21)14-12(16)13(18-19-14)11-5-3-2-4-6-11;/h2-6,10,17H,7-9H2,1H3,(H,18,19);1H
InChIKeyINMWUUHLOLDDII-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119473005
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 120557037
1-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118485
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493767
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472417

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119473594) is (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl.
What is the InChIKey of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is INMWUUHLOLDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.ClH/c1-10-9-17-7-8-20(10)15(21)14-12(16)13(18-19-14)11-5-3-2-4-6-11;/h2-6,10,17H,7-9H2,1H3,(H,18,19);1H.
What are the key properties of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 385.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119473594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).