2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C27H23ClN2O2S — CID 59632880

IUPAC2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCOc1ccc2cc(-c3ccc(-c4cc(C(C)(C)O)nn4-c4ccccc4Cl)s3)ccc2c1
InChIInChI=1S/C27H23ClN2O2S/c1-27(2,31)26-16-23(30(29-26)22-7-5-4-6-21(22)28)25-13-12-24(33-25)19-9-8-18-15-20(32-3)11-10-17(18)14-19/h4-16,31H,1-3H3
InChIKeyMIBXPOIRNKPHNC-UHFFFAOYSA-N
MW475.01 g/mol
LogP7.31
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632880) has the molecular formula C27H23ClN2O2S and a molecular weight of 475.01 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59632880
Molecular FormulaC27H23ClN2O2S
Molecular Weight475.01 g/mol
Exact Mass474.12
IUPAC Name2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCOc1ccc2cc(-c3ccc(-c4cc(C(C)(C)O)nn4-c4ccccc4Cl)s3)ccc2c1
InChIInChI=1S/C27H23ClN2O2S/c1-27(2,31)26-16-23(30(29-26)22-7-5-4-6-21(22)28)25-13-12-24(33-25)19-9-8-18-15-20(32-3)11-10-17(18)14-19/h4-16,31H,1-3H3
InChIKeyMIBXPOIRNKPHNC-UHFFFAOYSA-N
XLogP7.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59632880) is 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is COc1ccc2cc(-c3ccc(-c4cc(C(C)(C)O)nn4-c4ccccc4Cl)s3)ccc2c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is MIBXPOIRNKPHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2S/c1-27(2,31)26-16-23(30(29-26)22-7-5-4-6-21(22)28)25-13-12-24(33-25)19-9-8-18-15-20(32-3)11-10-17(18)14-19/h4-16,31H,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 475.01 g/mol, XLogP of 7.31, 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-(6-methoxynaphthalen-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).