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

C15H15FN2OS — CID 105098016

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H15FN2OS/c1-2-7-18-12(5-6-17-18)15(19)14-9-10-8-11(16)3-4-13(10)20-14/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyXIZXXNKOXOEZIM-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.73
Rot. Bonds4

About (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol

(5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 105098016) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID105098016
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H15FN2OS/c1-2-7-18-12(5-6-17-18)15(19)14-9-10-8-11(16)3-4-13(10)20-14/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyXIZXXNKOXOEZIM-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
Benzo[b]thiophen-3-yl-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44394927
(R)-[(4aR)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(1-benzothiophen-3-yl)methanol
CID 45486455

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (CID 105098016) is (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is XIZXXNKOXOEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-2-7-18-12(5-6-17-18)15(19)14-9-10-8-11(16)3-4-13(10)20-14/h3-6,8-9,15,19H,2,7H2,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 290.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 105098016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).