4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol

C25H24N2O2 — CID 135415085

IUPAC4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol
SMILESCCCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H24N2O2/c1-2-3-9-23-24(18-10-14-21(28)15-11-18)26-27(20-7-5-4-6-8-20)25(23)19-12-16-22(29)17-13-19/h4-8,10-17,28-29H,2-3,9H2,1H3
InChIKeyNCCPUTXSLZYUIH-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.96
Rot. Bonds6

About 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol

4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol (PubChem CID 135415085) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol
PubChem CID135415085
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol
SMILESCCCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H24N2O2/c1-2-3-9-23-24(18-10-14-21(28)15-11-18)26-27(20-7-5-4-6-8-20)25(23)19-12-16-22(29)17-13-19/h4-8,10-17,28-29H,2-3,9H2,1H3
InChIKeyNCCPUTXSLZYUIH-UHFFFAOYSA-N
XLogP5.96
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Propyl pyrazole triol
CID 5040063
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-[1-(4-Hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
CID 135857091
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15a)
CID 136961752
3-ethyl-2-(4-hydroxyphenyl)-2H-indazol-5-ol
CID 11149479
Methyl-piperidino-pyrazole
CID 135484659
4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511945
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
(2E)-3-{4-[1,3-bis(4-hydroxyphenyl)-4-methyl-1H-pyrazol-5-yl]phenyl}-1-(piperidin-1-yl)prop-2-en-1-one
CID 135857090
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286

Frequently Asked Questions

What is the IUPAC name of 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol?
The IUPAC name of 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol (CID 135415085) is 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol is CCCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol?
The InChIKey is NCCPUTXSLZYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-3-9-23-24(18-10-14-21(28)15-11-18)26-27(20-7-5-4-6-8-20)25(23)19-12-16-22(29)17-13-19/h4-8,10-17,28-29H,2-3,9H2,1H3.
What are the key properties of 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol?
4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol has a molecular weight of 384.48 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-butyl-3-(4-hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 135415085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).