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

C16H19F3N6O2 — CID 92619111

IUPAC2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(N)=O)c(CCNC(=O)CCn2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C16H19F3N6O2/c1-9-7-13(16(17,18)19)24-25(9)6-4-14(26)21-5-3-12-11(15(20)27)8-22-10(2)23-12/h7-8H,3-6H2,1-2H3,(H2,20,27)(H,21,26)
InChIKeyIBFNEZDLZTXXQP-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.16
Rot. Bonds7

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

2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide (PubChem CID 92619111) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide
PubChem CID92619111
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(N)=O)c(CCNC(=O)CCn2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C16H19F3N6O2/c1-9-7-13(16(17,18)19)24-25(9)6-4-14(26)21-5-3-12-11(15(20)27)8-22-10(2)23-12/h7-8H,3-6H2,1-2H3,(H2,20,27)(H,21,26)
InChIKeyIBFNEZDLZTXXQP-UHFFFAOYSA-N
XLogP1.16
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide (CID 92619111) is 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide is Cc1ncc(C(N)=O)c(CCNC(=O)CCn2nc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide?
The InChIKey is IBFNEZDLZTXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c1-9-7-13(16(17,18)19)24-25(9)6-4-14(26)21-5-3-12-11(15(20)27)8-22-10(2)23-12/h7-8H,3-6H2,1-2H3,(H2,20,27)(H,21,26).
What are the key properties of 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide?
2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92619111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).