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

C12H10F6N4OS — CID 4530213

IUPACN,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C(=O)N(C)C
InChIInChI=1S/C12H10F6N4OS/c1-21(2)10(23)7-8-19-5(11(13,14)15)4-6(12(16,17)18)22(8)20-9(7)24-3/h4H,1-3H3
InChIKeyDVXBDQXXZBSUGD-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.19
Rot. Bonds2

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

N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4530213) has the molecular formula C12H10F6N4OS and a molecular weight of 372.29 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4530213
Molecular FormulaC12H10F6N4OS
Molecular Weight372.29 g/mol
Exact Mass372.05
IUPAC NameN,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C(=O)N(C)C
InChIInChI=1S/C12H10F6N4OS/c1-21(2)10(23)7-8-19-5(11(13,14)15)4-6(12(16,17)18)22(8)20-9(7)24-3/h4H,1-3H3
InChIKeyDVXBDQXXZBSUGD-UHFFFAOYSA-N
XLogP3.19
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4530213) is N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-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(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DVXBDQXXZBSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N4OS/c1-21(2)10(23)7-8-19-5(11(13,14)15)4-6(12(16,17)18)22(8)20-9(7)24-3/h4H,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4530213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).