N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C24H23F4N5O2 — CID 142705665

IUPACN-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H23F4N5O2/c25-18-12-16(24(26,27)28)6-7-19(18)30-17-8-10-33(11-9-17)22(34)14-29-23(35)21-13-20(31-32-21)15-4-2-1-3-5-15/h1-7,12-13,17,30H,8-11,14H2,(H,29,35)(H,31,32)
InChIKeyJRLZOPVHDRKFBE-UHFFFAOYSA-N
MW489.47 g/mol
LogP4.07
Rot. Bonds6

About N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 142705665) has the molecular formula C24H23F4N5O2 and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID142705665
Molecular FormulaC24H23F4N5O2
Molecular Weight489.47 g/mol
Exact Mass489.18
IUPAC NameN-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H23F4N5O2/c25-18-12-16(24(26,27)28)6-7-19(18)30-17-8-10-33(11-9-17)22(34)14-29-23(35)21-13-20(31-32-21)15-4-2-1-3-5-15/h1-7,12-13,17,30H,8-11,14H2,(H,29,35)(H,31,32)
InChIKeyJRLZOPVHDRKFBE-UHFFFAOYSA-N
XLogP4.07
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 142705686
3-(4-fluorophenyl)-N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 46832118
N-[2-oxo-2-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 66591713
[2-[4-(2-bromoanilino)piperidin-1-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 153406348
methyl 2-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]-4-[2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]acetyl]piperazin-2-yl]acetate
CID 70875158
3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 121142755
methyl 4-[2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]acetyl]piperazine-2-carboxylate;hydrochloride
CID 67547916
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 63037864
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 142705665) is N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is JRLZOPVHDRKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O2/c25-18-12-16(24(26,27)28)6-7-19(18)30-17-8-10-33(11-9-17)22(34)14-29-23(35)21-13-20(31-32-21)15-4-2-1-3-5-15/h1-7,12-13,17,30H,8-11,14H2,(H,29,35)(H,31,32).
What are the key properties of N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-fluoro-4-(trifluoromethyl)anilino]piperidin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142705665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).