3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide

C24H23F3N4O4 — CID 142705686

IUPAC3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2cccc(O)c2)n[nH]1
InChIInChI=1S/C24H23F3N4O4/c25-24(26,27)16-4-6-18(7-5-16)35-19-8-10-31(11-9-19)22(33)14-28-23(34)21-13-20(29-30-21)15-2-1-3-17(32)12-15/h1-7,12-13,19,32H,8-11,14H2,(H,28,34)(H,29,30)
InChIKeyKKMTUJBGFMSXAN-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.60
Rot. Bonds6

About 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide

3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 142705686) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID142705686
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2cccc(O)c2)n[nH]1
InChIInChI=1S/C24H23F3N4O4/c25-24(26,27)16-4-6-18(7-5-16)35-19-8-10-31(11-9-19)22(33)14-28-23(34)21-13-20(29-30-21)15-2-1-3-17(32)12-15/h1-7,12-13,19,32H,8-11,14H2,(H,28,34)(H,29,30)
InChIKeyKKMTUJBGFMSXAN-UHFFFAOYSA-N
XLogP3.60
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 142705665
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661
N-[2-oxo-2-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 66591713
1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 142705657
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1-pyrrolidin-3-yltriazole-4-carboxamide
CID 142705693
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
3-(4-fluorophenyl)-N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 46832118
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 166328912
2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide
CID 91184923
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910066

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 142705686) is 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide is O=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2cccc(O)c2)n[nH]1.
What is the InChIKey of 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KKMTUJBGFMSXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c25-24(26,27)16-4-6-18(7-5-16)35-19-8-10-31(11-9-19)22(33)14-28-23(34)21-13-20(29-30-21)15-2-1-3-17(32)12-15/h1-7,12-13,19,32H,8-11,14H2,(H,28,34)(H,29,30).
What are the key properties of 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142705686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).