1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol

C24H23ClN2O2S2 — CID 143695311

IUPAC1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol
SMILESCSc1cccc(-c2ccc(-c3cc(OCC(C)(C)O)nn3-c3ccccc3Cl)s2)c1
InChIInChI=1S/C24H23ClN2O2S2/c1-24(2,28)15-29-23-14-20(27(26-23)19-10-5-4-9-18(19)25)22-12-11-21(31-22)16-7-6-8-17(13-16)30-3/h4-14,28H,15H2,1-3H3
InChIKeyLBYLWPUUEPMJAK-UHFFFAOYSA-N
MW471.05 g/mol
LogP6.79
Rot. Bonds7

About 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol

1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol (PubChem CID 143695311) has the molecular formula C24H23ClN2O2S2 and a molecular weight of 471.05 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol
PubChem CID143695311
Molecular FormulaC24H23ClN2O2S2
Molecular Weight471.05 g/mol
Exact Mass470.09
IUPAC Name1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol
SMILESCSc1cccc(-c2ccc(-c3cc(OCC(C)(C)O)nn3-c3ccccc3Cl)s2)c1
InChIInChI=1S/C24H23ClN2O2S2/c1-24(2,28)15-29-23-14-20(27(26-23)19-10-5-4-9-18(19)25)22-12-11-21(31-22)16-7-6-8-17(13-16)30-3/h4-14,28H,15H2,1-3H3
InChIKeyLBYLWPUUEPMJAK-UHFFFAOYSA-N
XLogP6.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.05
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632366
2-[1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-N,N-dimethylpropan-2-amine
CID 59632540
2-[1-(2-chlorophenyl)-5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-2-methylpropanenitrile
CID 59632184
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(2-pyrrolidin-1-ylpropan-2-yl)pyrazole
CID 59631744
2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632129
2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 136609731
1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole-3-carboxamide
CID 59632280
2-[4-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]acetic acid
CID 68655608
methyl 2-[[1-(2-chlorophenyl)-5-[5-(4-methylsulfonylphenyl)thiophen-2-yl]pyrazole-3-carbonyl]-methylamino]acetate
CID 68655440
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carbothioamide
CID 59633057
1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone
CID 59632988
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 59631670

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol (CID 143695311) is 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol is CSc1cccc(-c2ccc(-c3cc(OCC(C)(C)O)nn3-c3ccccc3Cl)s2)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol?
The InChIKey is LBYLWPUUEPMJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S2/c1-24(2,28)15-29-23-14-20(27(26-23)19-10-5-4-9-18(19)25)22-12-11-21(31-22)16-7-6-8-17(13-16)30-3/h4-14,28H,15H2,1-3H3.
What are the key properties of 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol?
1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol has a molecular weight of 471.05 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 143695311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).