3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride

C11H10ClF3N2O2S — CID 137404635

IUPAC3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
SMILESCCSc1c(C(=O)O)nn2ccc(C(F)(F)F)cc12.Cl
InChIInChI=1S/C11H9F3N2O2S.ClH/c1-2-19-9-7-5-6(11(12,13)14)3-4-16(7)15-8(9)10(17)18;/h3-5H,2H2,1H3,(H,17,18);1H
InChIKeyWJQVXJWEJSEKAV-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.59
Rot. Bonds3

About 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride

3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 137404635) has the molecular formula C11H10ClF3N2O2S and a molecular weight of 326.73 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
PubChem CID137404635
Molecular FormulaC11H10ClF3N2O2S
Molecular Weight326.73 g/mol
Exact Mass326.01
IUPAC Name3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
SMILESCCSc1c(C(=O)O)nn2ccc(C(F)(F)F)cc12.Cl
InChIInChI=1S/C11H9F3N2O2S.ClH/c1-2-19-9-7-5-6(11(12,13)14)3-4-16(7)15-8(9)10(17)18;/h3-5H,2H2,1H3,(H,17,18);1H
InChIKeyWJQVXJWEJSEKAV-UHFFFAOYSA-N
XLogP3.59
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238312
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide
CID 171490752
[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanol
CID 59476264
4-hydroxy-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 66477568
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82530096
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
CID 171490747
2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529890
4-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 63951618
5-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 58072379
2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188587
2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one
CID 170081460
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride (CID 137404635) is 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride is CCSc1c(C(=O)O)nn2ccc(C(F)(F)F)cc12.Cl.
What is the InChIKey of 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is WJQVXJWEJSEKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S.ClH/c1-2-19-9-7-5-6(11(12,13)14)3-4-16(7)15-8(9)10(17)18;/h3-5H,2H2,1H3,(H,17,18);1H.
What are the key properties of 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride?
3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 326.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 137404635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).