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

C16H22F3N5O — CID 51390145

IUPAC(2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C16H22F3N5O/c1-9-7-14(16(17,18)19)21-24(9)12(4)15(25)22(5)8-13-10(2)20-23(6)11(13)3/h7,12H,8H2,1-6H3/t12-/m1/s1
InChIKeyOVEKTBXMCQNGDT-GFCCVEGCSA-N
MW357.38 g/mol
LogP2.78
Rot. Bonds4

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

(2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 51390145) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID51390145
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC Name(2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C16H22F3N5O/c1-9-7-14(16(17,18)19)21-24(9)12(4)15(25)22(5)8-13-10(2)20-23(6)11(13)3/h7,12H,8H2,1-6H3/t12-/m1/s1
InChIKeyOVEKTBXMCQNGDT-GFCCVEGCSA-N
XLogP2.78
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19575136
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 19535998
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534882
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19534633
1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19575651
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19576698
(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 51390145) is (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is OVEKTBXMCQNGDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-9-7-14(16(17,18)19)21-24(9)12(4)15(25)22(5)8-13-10(2)20-23(6)11(13)3/h7,12H,8H2,1-6H3/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
(2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 357.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 51390145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).