(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

C14H13FN2OS — CID 105081817

IUPAC(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1cc(C(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C14H13FN2OS/c1-2-17-8-10(7-16-17)14(18)13-6-9-5-11(15)3-4-12(9)19-13/h3-8,14,18H,2H2,1H3
InChIKeyMTTPTXVQJWHDIY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.34
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 105081817) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID105081817
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1cc(C(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C14H13FN2OS/c1-2-17-8-10(7-16-17)14(18)13-6-9-5-11(15)3-4-12(9)19-13/h3-8,14,18H,2H2,1H3
InChIKeyMTTPTXVQJWHDIY-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (CID 105081817) is (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is CCn1cc(C(O)c2cc3cc(F)ccc3s2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is MTTPTXVQJWHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-17-8-10(7-16-17)14(18)13-6-9-5-11(15)3-4-12(9)19-13/h3-8,14,18H,2H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 276.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 105081817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).