[1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol

C9H8F2N2OS — CID 121211177

IUPAC[1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol
SMILESOCc1cc(-c2ccsc2)nn1C(F)F
InChIInChI=1S/C9H8F2N2OS/c10-9(11)13-7(4-14)3-8(12-13)6-1-2-15-5-6/h1-3,5,9,14H,4H2
InChIKeyLJDMZBUHUIRDGZ-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.50
Rot. Bonds3

About [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol

[1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol (PubChem CID 121211177) has the molecular formula C9H8F2N2OS and a molecular weight of 230.24 g/mol. Its IUPAC name is [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol
PubChem CID121211177
Molecular FormulaC9H8F2N2OS
Molecular Weight230.24 g/mol
Exact Mass230.03
IUPAC Name[1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol
SMILESOCc1cc(-c2ccsc2)nn1C(F)F
InChIInChI=1S/C9H8F2N2OS/c10-9(11)13-7(4-14)3-8(12-13)6-1-2-15-5-6/h1-3,5,9,14H,4H2
InChIKeyLJDMZBUHUIRDGZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
The IUPAC name of [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol (CID 121211177) is [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
The canonical SMILES for [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol is OCc1cc(-c2ccsc2)nn1C(F)F.
What is the InChIKey of [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
The InChIKey is LJDMZBUHUIRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2OS/c10-9(11)13-7(4-14)3-8(12-13)6-1-2-15-5-6/h1-3,5,9,14H,4H2.
What are the key properties of [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
[1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol has a molecular weight of 230.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol is sourced from PubChem (CID 121211177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).