1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C15H15FN2OS — CID 103027995

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15FN2OS/c1-18-12(6-7-17-18)4-5-13(19)15-8-10-2-3-11(16)9-14(10)20-15/h2-3,6-9,13,19H,4-5H2,1H3
InChIKeyVPVJWIVJDYERJH-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.44
Rot. Bonds4

About 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103027995) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103027995
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15FN2OS/c1-18-12(6-7-17-18)4-5-13(19)15-8-10-2-3-11(16)9-14(10)20-15/h2-3,6-9,13,19H,4-5H2,1H3
InChIKeyVPVJWIVJDYERJH-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.44
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-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103027995) is 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is VPVJWIVJDYERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-18-12(6-7-17-18)4-5-13(19)15-8-10-2-3-11(16)9-14(10)20-15/h2-3,6-9,13,19H,4-5H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103027995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).