2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C10H6F6N4OS — CID 2736163

IUPAC2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C(N)=O
InChIInChI=1S/C10H6F6N4OS/c1-22-8-5(6(17)21)7-18-3(9(11,12)13)2-4(10(14,15)16)20(7)19-8/h2H,1H3,(H2,17,21)
InChIKeyLQPGMZRJIRKDEN-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.59
Rot. Bonds2

About 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2736163) has the molecular formula C10H6F6N4OS and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2736163
Molecular FormulaC10H6F6N4OS
Molecular Weight344.24 g/mol
Exact Mass344.02
IUPAC Name2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C(N)=O
InChIInChI=1S/C10H6F6N4OS/c1-22-8-5(6(17)21)7-18-3(9(11,12)13)2-4(10(14,15)16)20(7)19-8/h2H,1H3,(H2,17,21)
InChIKeyLQPGMZRJIRKDEN-UHFFFAOYSA-N
XLogP2.59
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2821855
5,7-Bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-a]pyrimidine
CID 2736142
Pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride, 2-methylsulfanyl-5,7-bis(trifluoromethyl)-
CID 629992
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71345300
N-methyl-1-[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanimine
CID 162579324
[2-Methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanimine
CID 164103276
N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4530213
2-Methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6976629
5-Methyl-2-methylsulfanyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 17724040
2-[[2-Methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetic acid
CID 49762947
[2-Methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
CID 170875348
1-(2,7-Dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819567

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2736163) is 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C(N)=O.
What is the InChIKey of 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LQPGMZRJIRKDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N4OS/c1-22-8-5(6(17)21)7-18-3(9(11,12)13)2-4(10(14,15)16)20(7)19-8/h2H,1H3,(H2,17,21).
What are the key properties of 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2736163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).