1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C15H15FN2OS — CID 103028030

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H15FN2OS/c1-18-12(6-7-17-18)3-4-13(19)15-9-10-8-11(16)2-5-14(10)20-15/h2,5-9,13,19H,3-4H2,1H3
InChIKeyMPPVXPQUGDJNMV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.44
Rot. Bonds4

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

1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103028030) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103028030
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H15FN2OS/c1-18-12(6-7-17-18)3-4-13(19)15-9-10-8-11(16)2-5-14(10)20-15/h2,5-9,13,19H,3-4H2,1H3
InChIKeyMPPVXPQUGDJNMV-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

1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
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CID 105107575
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 114033904
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028329
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
CID 103006025
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 107443168
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103028030) is 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is MPPVXPQUGDJNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-18-12(6-7-17-18)3-4-13(19)15-9-10-8-11(16)2-5-14(10)20-15/h2,5-9,13,19H,3-4H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(5-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-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103028030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).