4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol

C25H21N3O2S — CID 56682199

IUPAC4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C25H21N3O2S/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(29)12-8-19)28(27-22)25-26-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24,29H,15H2,1H3
InChIKeyGMUJSMLTQURJDM-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.88
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol

4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 56682199) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID56682199
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C25H21N3O2S/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(29)12-8-19)28(27-22)25-26-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24,29H,15H2,1H3
InChIKeyGMUJSMLTQURJDM-UHFFFAOYSA-N
XLogP5.88
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936083
2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706187
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
N,5-dibenzyl-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706819
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706878
4-[[[5-Benzyl-4-(4-methoxyphenyl)thiazol-2-yl]amino]methyl]phenol
CID 72706995
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one
CID 2872363
N'-(4-methoxybenzylidene)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 9622500
2-[5-(3,4-Dimethoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-(4-fluoro-phenyl)-thiazole
CID 12004690

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (CID 56682199) is 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(O)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is GMUJSMLTQURJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(29)12-8-19)28(27-22)25-26-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24,29H,15H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 427.53 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 56682199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).