N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H20F3N5O — CID 50961629

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H20F3N5O/c1-9-7-13(16(17,18)19)22-14(21-9)8-20-15(25)6-5-12-10(2)23-24(4)11(12)3/h7H,5-6,8H2,1-4H3,(H,20,25)
InChIKeyVZDOMQBVMBDVHZ-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.40
Rot. Bonds5

About N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 50961629) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID50961629
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H20F3N5O/c1-9-7-13(16(17,18)19)22-14(21-9)8-20-15(25)6-5-12-10(2)23-24(4)11(12)3/h7H,5-6,8H2,1-4H3,(H,20,25)
InChIKeyVZDOMQBVMBDVHZ-UHFFFAOYSA-N
XLogP2.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70704652
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
CID 97210003
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50974928
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
CID 72939700

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 50961629) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CCc2c(C)nn(C)c2C)n1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is VZDOMQBVMBDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-9-7-13(16(17,18)19)22-14(21-9)8-20-15(25)6-5-12-10(2)23-24(4)11(12)3/h7H,5-6,8H2,1-4H3,(H,20,25).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 355.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 50961629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).