N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide

C15H21F3N4O3 — CID 145388982

IUPACN,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@@H](O)C(F)(F)F)CC[C@@H]1N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C15H21F3N4O3/c1-9-7-22(14(25)12(23)15(16,17)18)5-4-11(9)21(3)13(24)10-6-19-20(2)8-10/h6,8-9,11-12,23H,4-5,7H2,1-3H3/t9-,11+,12-/m1/s1
InChIKeyKMGDTFKQLGOZNG-ADEWGFFLSA-N
MW362.35 g/mol
LogP0.65
Rot. Bonds3

About N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide

N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 145388982) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID145388982
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC NameN,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@@H](O)C(F)(F)F)CC[C@@H]1N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C15H21F3N4O3/c1-9-7-22(14(25)12(23)15(16,17)18)5-4-11(9)21(3)13(24)10-6-19-20(2)8-10/h6,8-9,11-12,23H,4-5,7H2,1-3H3/t9-,11+,12-/m1/s1
InChIKeyKMGDTFKQLGOZNG-ADEWGFFLSA-N
XLogP0.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide
CID 145388958
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175648252
N,1-dimethyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648257
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649076
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 162568811
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
CID 155262197
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 145388982) is N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide is C[C@@H]1CN(C(=O)[C@@H](O)C(F)(F)F)CC[C@@H]1N(C)C(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is KMGDTFKQLGOZNG-ADEWGFFLSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-9-7-22(14(25)12(23)15(16,17)18)5-4-11(9)21(3)13(24)10-6-19-20(2)8-10/h6,8-9,11-12,23H,4-5,7H2,1-3H3/t9-,11+,12-/m1/s1.
What are the key properties of N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 145388982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).