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

C15H15FN2OS — CID 105080761

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C15H15FN2OS/c1-2-5-18-9-11(8-17-18)15(19)14-7-10-6-12(16)3-4-13(10)20-14/h3-4,6-9,15,19H,2,5H2,1H3
InChIKeyLHPPEHWZCIYILK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.73
Rot. Bonds4

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

(5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 105080761) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
PubChem CID105080761
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C15H15FN2OS/c1-2-5-18-9-11(8-17-18)15(19)14-7-10-6-12(16)3-4-13(10)20-14/h3-4,6-9,15,19H,2,5H2,1H3
InChIKeyLHPPEHWZCIYILK-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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol (CID 105080761) is (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2cc3cc(F)ccc3s2)cn1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is LHPPEHWZCIYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-2-5-18-9-11(8-17-18)15(19)14-7-10-6-12(16)3-4-13(10)20-14/h3-4,6-9,15,19H,2,5H2,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-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)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 105080761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).