N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide

C15H20F3N7O — CID 69093445

IUPACN,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
SMILESCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
InChIInChI=1S/C15H20F3N7O/c1-8-10(7-25(24-8)14(2,3)12(26)20-5)22-13-21-6-9(15(16,17)18)11(19-4)23-13/h6-7H,1-5H3,(H,20,26)(H2,19,21,22,23)
InChIKeyZQPKOSBVHGIUIN-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.27
Rot. Bonds5

About N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide

N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide (PubChem CID 69093445) has the molecular formula C15H20F3N7O and a molecular weight of 371.37 g/mol. Its IUPAC name is N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
PubChem CID69093445
Molecular FormulaC15H20F3N7O
Molecular Weight371.37 g/mol
Exact Mass371.17
IUPAC NameN,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
SMILESCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
InChIInChI=1S/C15H20F3N7O/c1-8-10(7-25(24-8)14(2,3)12(26)20-5)22-13-21-6-9(15(16,17)18)11(19-4)23-13/h6-7H,1-5H3,(H,20,26)(H2,19,21,22,23)
InChIKeyZQPKOSBVHGIUIN-UHFFFAOYSA-N
XLogP2.27
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
The IUPAC name of N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide (CID 69093445) is N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
The canonical SMILES for N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide is CNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1.
What is the InChIKey of N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
The InChIKey is ZQPKOSBVHGIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N7O/c1-8-10(7-25(24-8)14(2,3)12(26)20-5)22-13-21-6-9(15(16,17)18)11(19-4)23-13/h6-7H,1-5H3,(H,20,26)(H2,19,21,22,23).
What are the key properties of N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide has a molecular weight of 371.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 69093445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).