2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide

C15H19F3N6O — CID 72941063

IUPAC2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H19F3N6O/c1-9-7-12(15(16,17)18)22-24(9)6-5-19-13(25)11-8-20-14(23(3)4)21-10(11)2/h7-8H,5-6H2,1-4H3,(H,19,25)
InChIKeyJOAAANNDBICYPM-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.80
Rot. Bonds5

About 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide

2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 72941063) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID72941063
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H19F3N6O/c1-9-7-12(15(16,17)18)22-24(9)6-5-19-13(25)11-8-20-14(23(3)4)21-10(11)2/h7-8H,5-6H2,1-4H3,(H,19,25)
InChIKeyJOAAANNDBICYPM-UHFFFAOYSA-N
XLogP1.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide (CID 72941063) is 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is JOAAANNDBICYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-9-7-12(15(16,17)18)22-24(9)6-5-19-13(25)11-8-20-14(23(3)4)21-10(11)2/h7-8H,5-6H2,1-4H3,(H,19,25).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72941063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).