[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

C10H9F3N2OS — CID 2780713

IUPAC[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(CO)s2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-4,16H,5H2,1H3
InChIKeyRJIIPCWLMHMXQA-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.66
Rot. Bonds2

About [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (PubChem CID 2780713) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
PubChem CID2780713
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(CO)s2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-4,16H,5H2,1H3
InChIKeyRJIIPCWLMHMXQA-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (CID 2780713) is [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is Cn1nc(-c2ccc(CO)s2)cc1C(F)(F)F.
What is the InChIKey of [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is RJIIPCWLMHMXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-4,16H,5H2,1H3.
What are the key properties of [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 262.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 2780713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).