2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H7F3N4S — CID 754784

IUPAC2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1C#N
InChIInChI=1S/C13H7F3N4S/c1-7-8(6-17)12-18-9(10-3-2-4-21-10)5-11(13(14,15)16)20(12)19-7/h2-5H,1H3
InChIKeySGGSOTPURYVQNT-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.66
Rot. Bonds1

About 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 754784) has the molecular formula C13H7F3N4S and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID754784
Molecular FormulaC13H7F3N4S
Molecular Weight308.29 g/mol
Exact Mass308.03
IUPAC Name2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1C#N
InChIInChI=1S/C13H7F3N4S/c1-7-8(6-17)12-18-9(10-3-2-4-21-10)5-11(13(14,15)16)20(12)19-7/h2-5H,1H3
InChIKeySGGSOTPURYVQNT-UHFFFAOYSA-N
XLogP3.66
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
7-(Cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70692773
2,5-Di(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2818919
5-Methyl-2-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819639
7-Amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70690634
2-Methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2387196
3-Methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531835
3-(Ethylthio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531836
N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32801070
5,8-Dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71452031
5-Thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 673375
5-(2-Thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1252823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 754784) is 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1C#N.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SGGSOTPURYVQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4S/c1-7-8(6-17)12-18-9(10-3-2-4-21-10)5-11(13(14,15)16)20(12)19-7/h2-5H,1H3.
What are the key properties of 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 308.29 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 754784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).