4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol

C24H22N2O3 — CID 5040063

IUPAC4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
InChIKeyIOTXSIGGFRQYKW-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.28
Rot. Bonds5

About 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol

4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol (PubChem CID 5040063) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol
PubChem CID5040063
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
InChIKeyIOTXSIGGFRQYKW-UHFFFAOYSA-N
XLogP5.28
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-Hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
CID 135857091
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
3-ethyl-2-(4-hydroxyphenyl)-2H-indazol-5-ol
CID 11149479
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
Methyl-piperidino-pyrazole
CID 135484659
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
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
MPP dihydrochloride
CID 135541421
2-[1-(4-methoxybenzyl)-3-phenyl-1H-pyrazol-5-yl]phenol
CID 1038912
2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol?
The IUPAC name of 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol (CID 5040063) is 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol is CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol?
The InChIKey is IOTXSIGGFRQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3.
What are the key properties of 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol?
4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol has a molecular weight of 386.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol is sourced from PubChem (CID 5040063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).