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

C16H22F3N7O — CID 69083959

IUPACN-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
SMILESCCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
InChIInChI=1S/C16H22F3N7O/c1-6-21-13(27)15(3,4)26-8-11(9(2)25-26)23-14-22-7-10(16(17,18)19)12(20-5)24-14/h7-8H,6H2,1-5H3,(H,21,27)(H2,20,22,23,24)
InChIKeyRZHUFHGNDAWQOJ-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.66
Rot. Bonds6

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

N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide (PubChem CID 69083959) has the molecular formula C16H22F3N7O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
PubChem CID69083959
Molecular FormulaC16H22F3N7O
Molecular Weight385.39 g/mol
Exact Mass385.18
IUPAC NameN-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
SMILESCCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
InChIInChI=1S/C16H22F3N7O/c1-6-21-13(27)15(3,4)26-8-11(9(2)25-26)23-14-22-7-10(16(17,18)19)12(20-5)24-14/h7-8H,6H2,1-5H3,(H,21,27)(H2,20,22,23,24)
InChIKeyRZHUFHGNDAWQOJ-UHFFFAOYSA-N
XLogP2.66
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
The IUPAC name of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide (CID 69083959) is N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
The canonical SMILES for N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide is CCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1.
What is the InChIKey of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
The InChIKey is RZHUFHGNDAWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N7O/c1-6-21-13(27)15(3,4)26-8-11(9(2)25-26)23-14-22-7-10(16(17,18)19)12(20-5)24-14/h7-8H,6H2,1-5H3,(H,21,27)(H2,20,22,23,24).
What are the key properties of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 69083959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).