[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol

C15H13FN2OS — CID 102829326

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN2OS/c1-9-12(6-7-20-9)15(19)13-8-17-18-14(13)10-2-4-11(16)5-3-10/h2-8,15,19H,1H3,(H,17,18)
InChIKeyAURZKDDXPAJWLY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.67
Rot. Bonds3

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol (PubChem CID 102829326) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol
PubChem CID102829326
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN2OS/c1-9-12(6-7-20-9)15(19)13-8-17-18-14(13)10-2-4-11(16)5-3-10/h2-8,15,19H,1H3,(H,17,18)
InChIKeyAURZKDDXPAJWLY-UHFFFAOYSA-N
XLogP3.67
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol (CID 102829326) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol?
The InChIKey is AURZKDDXPAJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-9-12(6-7-20-9)15(19)13-8-17-18-14(13)10-2-4-11(16)5-3-10/h2-8,15,19H,1H3,(H,17,18).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol has a molecular weight of 288.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102829326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).