N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H22F3N5O — CID 19566415

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCn1cc(CNC(=O)C(C)Cn2nc(C(F)(F)F)cc2C)c(C)n1
InChIInChI=1S/C16H22F3N5O/c1-5-23-9-13(12(4)21-23)7-20-15(25)10(2)8-24-11(3)6-14(22-24)16(17,18)19/h6,9-10H,5,7-8H2,1-4H3,(H,20,25)
InChIKeyFMZLRMARPYGDMP-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.69
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19566415) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19566415
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCn1cc(CNC(=O)C(C)Cn2nc(C(F)(F)F)cc2C)c(C)n1
InChIInChI=1S/C16H22F3N5O/c1-5-23-9-13(12(4)21-23)7-20-15(25)10(2)8-24-11(3)6-14(22-24)16(17,18)19/h6,9-10H,5,7-8H2,1-4H3,(H,20,25)
InChIKeyFMZLRMARPYGDMP-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
(2S)-2-methyl-N-(4-methylcyclohexyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51391361
N-(2-hydroxyphenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566347
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
CID 19566440
N-(3,4-dichlorophenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566376
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519123
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534375
N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4868032
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534690
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19564365
2-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566540
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 35527896

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19566415) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCn1cc(CNC(=O)C(C)Cn2nc(C(F)(F)F)cc2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is FMZLRMARPYGDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-5-23-9-13(12(4)21-23)7-20-15(25)10(2)8-24-11(3)6-14(22-24)16(17,18)19/h6,9-10H,5,7-8H2,1-4H3,(H,20,25).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 357.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19566415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).