N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H19F3N4O — CID 77081558

IUPACN-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-10-13(11(2)23(3)22-10)6-7-14(24)21-15(16(17,18)19)12-5-4-8-20-9-12/h4-5,8-9,15H,6-7H2,1-3H3,(H,21,24)
InChIKeyDWKIIODELPPOMC-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.78
Rot. Bonds5

About N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 77081558) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID77081558
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-10-13(11(2)23(3)22-10)6-7-14(24)21-15(16(17,18)19)12-5-4-8-20-9-12/h4-5,8-9,15H,6-7H2,1-3H3,(H,21,24)
InChIKeyDWKIIODELPPOMC-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96573738
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105098522
[1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105287115
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 77081558) is N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(c1cccnc1)C(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DWKIIODELPPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-10-13(11(2)23(3)22-10)6-7-14(24)21-15(16(17,18)19)12-5-4-8-20-9-12/h4-5,8-9,15H,6-7H2,1-3H3,(H,21,24).
What are the key properties of N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 340.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 77081558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).