N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C16H22F3N5O — CID 72899172

IUPACN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C16H22F3N5O/c1-10(2)14-20-5-7-23(14)12(4)15(25)21-6-8-24-11(3)9-13(22-24)16(17,18)19/h5,7,9-10,12H,6,8H2,1-4H3,(H,21,25)
InChIKeyFITBCZLMFSWHRQ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.91
Rot. Bonds6

About N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72899172) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72899172
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C16H22F3N5O/c1-10(2)14-20-5-7-23(14)12(4)15(25)21-6-8-24-11(3)9-13(22-24)16(17,18)19/h5,7,9-10,12H,6,8H2,1-4H3,(H,21,25)
InChIKeyFITBCZLMFSWHRQ-UHFFFAOYSA-N
XLogP2.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72899172) is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)C(C)n1ccnc1C(C)C.
What is the InChIKey of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is FITBCZLMFSWHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-10(2)14-20-5-7-23(14)12(4)15(25)21-6-8-24-11(3)9-13(22-24)16(17,18)19/h5,7,9-10,12H,6,8H2,1-4H3,(H,21,25).
What are the key properties of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 357.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72899172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).