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

C20H18ClN3OS — CID 136609731

IUPAC2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3ccc[nH]3)s2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C20H18ClN3OS/c1-20(2,25)19-12-16(24(23-19)15-8-4-3-6-13(15)21)18-10-9-17(26-18)14-7-5-11-22-14/h3-12,22,25H,1-2H3
InChIKeyTUWOXXDMSBRDIO-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.48
Rot. Bonds4

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

2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 136609731) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID136609731
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3ccc[nH]3)s2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C20H18ClN3OS/c1-20(2,25)19-12-16(24(23-19)15-8-4-3-6-13(15)21)18-10-9-17(26-18)14-7-5-11-22-14/h3-12,22,25H,1-2H3
InChIKeyTUWOXXDMSBRDIO-UHFFFAOYSA-N
XLogP5.48
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.48
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
tert-butyl 2-[5-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]thiophen-2-yl]pyrrole-1-carboxylate
CID 59632233
2-[1-(2-chlorophenyl)-5-[5-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
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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
2-[5-[5-(1H-indol-5-yl)thiophen-2-yl]-1-(2-propylphenyl)pyrazol-3-yl]propan-2-ol
CID 143385965
4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide
CID 59632094
2-[1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-N,N-dimethylpropan-2-amine
CID 59632540
[5-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-3-pyridinyl] acetate
CID 150634139
2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632179
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(2-pyrrolidin-1-ylpropan-2-yl)pyrazole
CID 59631744

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 136609731) is 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(-c3ccc[nH]3)s2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is TUWOXXDMSBRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c1-20(2,25)19-12-16(24(23-19)15-8-4-3-6-13(15)21)18-10-9-17(26-18)14-7-5-11-22-14/h3-12,22,25H,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 383.90 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 136609731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).