N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

C15H23F3N4O — CID 138036982

IUPACN-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1ccnn1C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-20(14(23)4-3-13-5-8-19-21(13)2)12-6-9-22(10-7-12)11-15(16,17)18/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyWKXWJJIOUBOQMA-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.84
Rot. Bonds5

About N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (PubChem CID 138036982) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
PubChem CID138036982
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC NameN-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1ccnn1C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-20(14(23)4-3-13-5-8-19-21(13)2)12-6-9-22(10-7-12)11-15(16,17)18/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyWKXWJJIOUBOQMA-UHFFFAOYSA-N
XLogP1.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 110128017
N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
CID 138036989
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 118772635
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024286
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (CID 138036982) is N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is CN(C(=O)CCc1ccnn1C)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The InChIKey is WKXWJJIOUBOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-20(14(23)4-3-13-5-8-19-21(13)2)12-6-9-22(10-7-12)11-15(16,17)18/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide has a molecular weight of 332.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138036982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).