2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C23H20ClFN2O2S — CID 59632366

IUPAC2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCOc1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1F
InChIInChI=1S/C23H20ClFN2O2S/c1-23(2,28)21-13-17(27(26-21)16-9-5-4-8-15(16)24)20-12-11-19(30-20)14-7-6-10-18(29-3)22(14)25/h4-13,28H,1-3H3
InChIKeyACWXVMNIWRWOAW-UHFFFAOYSA-N
MW442.94 g/mol
LogP6.30
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632366) has the molecular formula C23H20ClFN2O2S and a molecular weight of 442.94 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59632366
Molecular FormulaC23H20ClFN2O2S
Molecular Weight442.94 g/mol
Exact Mass442.09
IUPAC Name2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCOc1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1F
InChIInChI=1S/C23H20ClFN2O2S/c1-23(2,28)21-13-17(27(26-21)16-9-5-4-8-15(16)24)20-12-11-19(30-20)14-7-6-10-18(29-3)22(14)25/h4-13,28H,1-3H3
InChIKeyACWXVMNIWRWOAW-UHFFFAOYSA-N
XLogP6.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.94
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
tert-butyl 2-[5-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]thiophen-2-yl]pyrrole-1-carboxylate
CID 59632233
1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone
CID 59632988
2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631899
2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
CID 59632276
4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide
CID 59632094
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-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-N,N-dimethylpropan-2-amine
CID 59632540
2-[4-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]acetic acid
CID 68655608
[5-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-3-pyridinyl] acetate
CID 150634139
1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol
CID 143695311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59632366) is 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is COc1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1F.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is ACWXVMNIWRWOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2S/c1-23(2,28)21-13-17(27(26-21)16-9-5-4-8-15(16)24)20-12-11-19(30-20)14-7-6-10-18(29-3)22(14)25/h4-13,28H,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 442.94 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).