N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide

C15H18F3N5O — CID 72895949

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCCc1nc(C)cc(C(F)(F)F)n1)n1cccn1
InChIInChI=1S/C15H18F3N5O/c1-3-11(23-8-4-6-20-23)14(24)19-7-5-13-21-10(2)9-12(22-13)15(16,17)18/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,19,24)
InChIKeyCLVSAZCISBCUAH-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide (PubChem CID 72895949) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide
PubChem CID72895949
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCCc1nc(C)cc(C(F)(F)F)n1)n1cccn1
InChIInChI=1S/C15H18F3N5O/c1-3-11(23-8-4-6-20-23)14(24)19-7-5-13-21-10(2)9-12(22-13)15(16,17)18/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,19,24)
InChIKeyCLVSAZCISBCUAH-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide (CID 72895949) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCCc1nc(C)cc(C(F)(F)F)n1)n1cccn1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is CLVSAZCISBCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-3-11(23-8-4-6-20-23)14(24)19-7-5-13-21-10(2)9-12(22-13)15(16,17)18/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,19,24).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 341.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72895949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).