N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C16H18F3N7O — CID 55601777

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C)n1
InChIInChI=1S/C16H18F3N7O/c1-8-7-12(25(4)23-8)21-13(27)6-5-11-9(2)20-15-22-14(16(17,18)19)24-26(15)10(11)3/h7H,5-6H2,1-4H3,(H,21,27)
InChIKeyUNYBIIBQTPDRPK-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.37
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 55601777) has the molecular formula C16H18F3N7O and a molecular weight of 381.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID55601777
Molecular FormulaC16H18F3N7O
Molecular Weight381.36 g/mol
Exact Mass381.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C)n1
InChIInChI=1S/C16H18F3N7O/c1-8-7-12(25(4)23-8)21-13(27)6-5-11-9(2)20-15-22-14(16(17,18)19)24-26(15)10(11)3/h7H,5-6H2,1-4H3,(H,21,27)
InChIKeyUNYBIIBQTPDRPK-UHFFFAOYSA-N
XLogP2.37
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 55601777) is N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is UNYBIIBQTPDRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O/c1-8-7-12(25(4)23-8)21-13(27)6-5-11-9(2)20-15-22-14(16(17,18)19)24-26(15)10(11)3/h7H,5-6H2,1-4H3,(H,21,27).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 381.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 55601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).