(3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol

C9H9FN2OS — CID 130594717

IUPAC(3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2sccc2F)cn1
InChIInChI=1S/C9H9FN2OS/c1-12-5-6(4-11-12)8(13)9-7(10)2-3-14-9/h2-5,8,13H,1H3
InChIKeyXGIPNBJJQSEXHQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.70
Rot. Bonds2

About (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol

(3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 130594717) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID130594717
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name(3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2sccc2F)cn1
InChIInChI=1S/C9H9FN2OS/c1-12-5-6(4-11-12)8(13)9-7(10)2-3-14-9/h2-5,8,13H,1H3
InChIKeyXGIPNBJJQSEXHQ-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (CID 130594717) is (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2sccc2F)cn1.
What is the InChIKey of (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is XGIPNBJJQSEXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-12-5-6(4-11-12)8(13)9-7(10)2-3-14-9/h2-5,8,13H,1H3.
What are the key properties of (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
(3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 212.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 130594717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).