1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol

C15H16N2OS — CID 63976535

IUPAC1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1csc2ccccc12
InChIInChI=1S/C15H16N2OS/c1-2-9-17-13(7-8-16-17)15(18)12-10-19-14-6-4-3-5-11(12)14/h3-8,10,15,18H,2,9H2,1H3
InChIKeyHDMMITFDZRXZAQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.59
Rot. Bonds4

About 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol

1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol (PubChem CID 63976535) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol
PubChem CID63976535
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1csc2ccccc12
InChIInChI=1S/C15H16N2OS/c1-2-9-17-13(7-8-16-17)15(18)12-10-19-14-6-4-3-5-11(12)14/h3-8,10,15,18H,2,9H2,1H3
InChIKeyHDMMITFDZRXZAQ-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.59
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
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10048339
(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-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10410448
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10478638
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-2-yl)methanol
CID 23648197
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-2-yl)methanol
CID 23648198
Cyclopenta[f]indazole, 15
CID 23648199
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 23648200
(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

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol (CID 63976535) is 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol?
The InChIKey is HDMMITFDZRXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-9-17-13(7-8-16-17)15(18)12-10-19-14-6-4-3-5-11(12)14/h3-8,10,15,18H,2,9H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol?
1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol has a molecular weight of 272.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63976535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).