(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone

C26H24N4O4 — CID 55849955

IUPAC(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(=O)c3ccccc3O)CC2)o1
InChIInChI=1S/C26H24N4O4/c1-18-11-12-23(34-18)24-21(17-30(27-24)19-7-3-2-4-8-19)26(33)29-15-13-28(14-16-29)25(32)20-9-5-6-10-22(20)31/h2-12,17,31H,13-16H2,1H3
InChIKeyXHSMWHMBRWIPGF-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.74
Rot. Bonds4

About (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone

(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 55849955) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID55849955
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(=O)c3ccccc3O)CC2)o1
InChIInChI=1S/C26H24N4O4/c1-18-11-12-23(34-18)24-21(17-30(27-24)19-7-3-2-4-8-19)26(33)29-15-13-28(14-16-29)25(32)20-9-5-6-10-22(20)31/h2-12,17,31H,13-16H2,1H3
InChIKeyXHSMWHMBRWIPGF-UHFFFAOYSA-N
XLogP3.74
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076
4-hydroxy-1-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251441
(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 119379648
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 120816910
[4-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55850978
N-(2-hydroxyethyl)-N-methyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 110878130
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate
CID 34843851
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 55849955) is (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(=O)c3ccccc3O)CC2)o1.
What is the InChIKey of (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is XHSMWHMBRWIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-18-11-12-23(34-18)24-21(17-30(27-24)19-7-3-2-4-8-19)26(33)29-15-13-28(14-16-29)25(32)20-9-5-6-10-22(20)31/h2-12,17,31H,13-16H2,1H3.
What are the key properties of (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 456.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55849955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).