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

C25H25ClN2OS — CID 59632129

IUPAC2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
InChIInChI=1S/C25H25ClN2OS/c1-16(2)17-9-5-6-10-18(17)22-13-14-23(30-22)21-15-24(25(3,4)29)27-28(21)20-12-8-7-11-19(20)26/h5-16,29H,1-4H3
InChIKeyYLHBWBORUYTGDK-UHFFFAOYSA-N
MW437.01 g/mol
LogP7.27
Rot. Bonds5

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

2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632129) has the molecular formula C25H25ClN2OS and a molecular weight of 437.01 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59632129
Molecular FormulaC25H25ClN2OS
Molecular Weight437.01 g/mol
Exact Mass436.14
IUPAC Name2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
InChIInChI=1S/C25H25ClN2OS/c1-16(2)17-9-5-6-10-18(17)22-13-14-23(30-22)21-15-24(25(3,4)29)27-28(21)20-12-8-7-11-19(20)26/h5-16,29H,1-4H3
InChIKeyYLHBWBORUYTGDK-UHFFFAOYSA-N
XLogP7.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.01
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59632129) is 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is YLHBWBORUYTGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2OS/c1-16(2)17-9-5-6-10-18(17)22-13-14-23(30-22)21-15-24(25(3,4)29)27-28(21)20-12-8-7-11-19(20)26/h5-16,29H,1-4H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 437.01 g/mol, XLogP of 7.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).