2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C24H23ClN2O3S — CID 59633373

IUPAC2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCOc1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)cc1OC
InChIInChI=1S/C24H23ClN2O3S/c1-24(2,28)23-14-18(27(26-23)17-8-6-5-7-16(17)25)22-12-11-21(31-22)15-9-10-19(29-3)20(13-15)30-4/h5-14,28H,1-4H3
InChIKeyLWEZQQZTXCXFIT-UHFFFAOYSA-N
MW454.98 g/mol
LogP6.17
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59633373) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59633373
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCOc1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)cc1OC
InChIInChI=1S/C24H23ClN2O3S/c1-24(2,28)23-14-18(27(26-23)17-8-6-5-7-16(17)25)22-12-11-21(31-22)15-9-10-19(29-3)20(13-15)30-4/h5-14,28H,1-4H3
InChIKeyLWEZQQZTXCXFIT-UHFFFAOYSA-N
XLogP6.17
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59633373) is 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is COc1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)cc1OC.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is LWEZQQZTXCXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-24(2,28)23-14-18(27(26-23)17-8-6-5-7-16(17)25)22-12-11-21(31-22)15-9-10-19(29-3)20(13-15)30-4/h5-14,28H,1-4H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 454.98 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59633373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).