2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol

C27H27N3OS — CID 143385965

IUPAC2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol
SMILESCCCc1ccccc1-n1nc(C(C)(C)O)cc1-c1ccc(-c2ccc3[nH]ccc3c2)s1
InChIInChI=1S/C27H27N3OS/c1-4-7-18-8-5-6-9-22(18)30-23(17-26(29-30)27(2,3)31)25-13-12-24(32-25)20-10-11-21-19(16-20)14-15-28-21/h5-6,8-17,28,31H,4,7H2,1-3H3
InChIKeyLSHWXURATWGGAU-UHFFFAOYSA-N
MW441.60 g/mol
LogP6.93
Rot. Bonds6

About 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol

2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol (PubChem CID 143385965) has the molecular formula C27H27N3OS and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol
PubChem CID143385965
Molecular FormulaC27H27N3OS
Molecular Weight441.60 g/mol
Exact Mass441.19
IUPAC Name2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol
SMILESCCCc1ccccc1-n1nc(C(C)(C)O)cc1-c1ccc(-c2ccc3[nH]ccc3c2)s1
InChIInChI=1S/C27H27N3OS/c1-4-7-18-8-5-6-9-22(18)30-23(17-26(29-30)27(2,3)31)25-13-12-24(32-25)20-10-11-21-19(16-20)14-15-28-21/h5-6,8-17,28,31H,4,7H2,1-3H3
InChIKeyLSHWXURATWGGAU-UHFFFAOYSA-N
XLogP6.93
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
2-[1-(2-chlorophenyl)-5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-2-methylpropanenitrile
CID 59632184
1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone
CID 157061659
2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632366
N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145
2-[1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-N,N-dimethylpropan-2-amine
CID 59632540
1-[1-(2-chlorophenyl)-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]pyrazol-3-yl]oxy-2-methylpropan-2-ol
CID 143695311
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(2-pyrrolidin-1-ylpropan-2-yl)pyrazole
CID 59631744
1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol
CID 114910892

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol (CID 143385965) is 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol is CCCc1ccccc1-n1nc(C(C)(C)O)cc1-c1ccc(-c2ccc3[nH]ccc3c2)s1.
What is the InChIKey of 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol?
The InChIKey is LSHWXURATWGGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3OS/c1-4-7-18-8-5-6-9-22(18)30-23(17-26(29-30)27(2,3)31)25-13-12-24(32-25)20-10-11-21-19(16-20)14-15-28-21/h5-6,8-17,28,31H,4,7H2,1-3H3.
What are the key properties of 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol?
2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol has a molecular weight of 441.60 g/mol, XLogP of 6.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 143385965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).