(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C15H19ClN4O2 — CID 119576249

IUPAC(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2nn(-c3ccccc3)cc2O)CCN1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-11-9-18(8-7-16-11)15(21)14-13(20)10-19(17-14)12-5-3-2-4-6-12;/h2-6,10-11,16,20H,7-9H2,1H3;1H
InChIKeyMFXMUYHMLSMLQE-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.43
Rot. Bonds2

About (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119576249) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119576249
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2nn(-c3ccccc3)cc2O)CCN1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-11-9-18(8-7-16-11)15(21)14-13(20)10-19(17-14)12-5-3-2-4-6-12;/h2-6,10-11,16,20H,7-9H2,1H3;1H
InChIKeyMFXMUYHMLSMLQE-UHFFFAOYSA-N
XLogP1.43
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
(3-methylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119577575
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577796
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994712
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
[4-(3-aminopropoxy)piperidin-1-yl]-(4-hydroxy-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119661589
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119576249) is (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2nn(-c3ccccc3)cc2O)CCN1.Cl.
What is the InChIKey of (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is MFXMUYHMLSMLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c1-11-9-18(8-7-16-11)15(21)14-13(20)10-19(17-14)12-5-3-2-4-6-12;/h2-6,10-11,16,20H,7-9H2,1H3;1H.
What are the key properties of (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119576249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).