5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol

C17H16N2OS — CID 61089156

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C17H16N2OS/c20-17(16-9-12-5-4-8-15(12)21-16)13-10-18-19(11-13)14-6-2-1-3-7-14/h1-3,6-7,9-11,17,20H,4-5,8H2
InChIKeyFMGSIZFACSDSPB-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.50
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61089156) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol
PubChem CID61089156
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C17H16N2OS/c20-17(16-9-12-5-4-8-15(12)21-16)13-10-18-19(11-13)14-6-2-1-3-7-14/h1-3,6-7,9-11,17,20H,4-5,8H2
InChIKeyFMGSIZFACSDSPB-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10475742
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10317646
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10407417
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-thiophen-2-yl-methanol
CID 44402151
[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(R)-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-thiophen-3-ylmethanol
CID 164627656
2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683
(3-(4-(Methylthio)phenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3300100
(1R)-2-[(4aR,5R)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-thiophen-3-ylethanol
CID 11742199
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-3-ylethanol
CID 15604813
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
CID 15604814
2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
CID 15604896

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol (CID 61089156) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is FMGSIZFACSDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(16-9-12-5-4-8-15(12)21-16)13-10-18-19(11-13)14-6-2-1-3-7-14/h1-3,6-7,9-11,17,20H,4-5,8H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 296.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).