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

C13H11FN2OS — CID 103138856

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc3cc(F)ccc3s2)n1
InChIInChI=1S/C13H11FN2OS/c1-16-5-4-10(15-16)13(17)12-7-8-6-9(14)2-3-11(8)18-12/h2-7,13,17H,1H3
InChIKeyHORXIHXSGICXIP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.86
Rot. Bonds2

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

(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138856) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103138856
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc3cc(F)ccc3s2)n1
InChIInChI=1S/C13H11FN2OS/c1-16-5-4-10(15-16)13(17)12-7-8-6-9(14)2-3-11(8)18-12/h2-7,13,17H,1H3
InChIKeyHORXIHXSGICXIP-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135081
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105107575
(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 105096887
(5-fluoro-1-benzothiophen-2-yl)-thiophen-3-ylmethanol
CID 105102714
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
CID 103138544
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 103138624
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (CID 103138856) is (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2cc3cc(F)ccc3s2)n1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is HORXIHXSGICXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-16-5-4-10(15-16)13(17)12-7-8-6-9(14)2-3-11(8)18-12/h2-7,13,17H,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 262.31 g/mol, XLogP of 2.86, 2 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)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).