5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C19H21F3N4O3 — CID 166196863

IUPAC5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN(C(=O)C(O)Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)13-5-1-3-11(7-13)8-15(27)18(29)26-6-2-4-12(10-26)16-14(17(23)28)9-24-25-16/h1,3,5,7,9,12,15,27H,2,4,6,8,10H2,(H2,23,28)(H,24,25)
InChIKeyWPBBYWRUUUUJJA-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.84
Rot. Bonds5

About 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 166196863) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID166196863
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN(C(=O)C(O)Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)13-5-1-3-11(7-13)8-15(27)18(29)26-6-2-4-12(10-26)16-14(17(23)28)9-24-25-16/h1,3,5,7,9,12,15,27H,2,4,6,8,10H2,(H2,23,28)(H,24,25)
InChIKeyWPBBYWRUUUUJJA-UHFFFAOYSA-N
XLogP1.84
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410
5-[1-cyano-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
CID 70492108
3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 128998957
2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474520
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 111561047
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375
(3R)-1-[(2R)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124692978
3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
CID 45180592
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030
(3R)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-1-carboxamide
CID 129324013
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 125119581

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 166196863) is 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1C1CCCN(C(=O)C(O)Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is WPBBYWRUUUUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c20-19(21,22)13-5-1-3-11(7-13)8-15(27)18(29)26-6-2-4-12(10-26)16-14(17(23)28)9-24-25-16/h1,3,5,7,9,12,15,27H,2,4,6,8,10H2,(H2,23,28)(H,24,25).
What are the key properties of 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166196863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).