N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide

C22H21F3N4O — CID 99756595

IUPACN-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)17-10-8-16(9-11-17)21(30)26-18-7-4-12-29(14-18)20-13-19(27-28-20)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,26,30)(H,27,28)/t18-/m0/s1
InChIKeyMMMVTKCAWIHARP-SFHVURJKSA-N
MW414.43 g/mol
LogP4.49
Rot. Bonds4

About N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide

N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 99756595) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID99756595
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC NameN-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)17-10-8-16(9-11-17)21(30)26-18-7-4-12-29(14-18)20-13-19(27-28-20)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,26,30)(H,27,28)/t18-/m0/s1
InChIKeyMMMVTKCAWIHARP-SFHVURJKSA-N
XLogP4.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 99740855
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
CID 91887797
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-1H-indole-5-carboxamide
CID 91887791
2,5-difluoro-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740772
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99740991
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide (CID 99756595) is N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide is O=C(N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is MMMVTKCAWIHARP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21F3N4O/c23-22(24,25)17-10-8-16(9-11-17)21(30)26-18-7-4-12-29(14-18)20-13-19(27-28-20)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,26,30)(H,27,28)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 414.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 99756595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).