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

C26H28F3N5O — CID 44547431

IUPACN-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H28F3N5O/c27-26(28,29)21-12-19(25(35)32-22-5-3-4-18(13-22)20-16-30-31-17-20)14-24(15-21)34-10-6-23(7-11-34)33-8-1-2-9-33/h3-5,12-17,23H,1-2,6-11H2,(H,30,31)(H,32,35)
InChIKeyOLLGLQQNEADYOP-UHFFFAOYSA-N
MW483.54 g/mol
LogP5.41
Rot. Bonds5

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

N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 44547431) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID44547431
Molecular FormulaC26H28F3N5O
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC NameN-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H28F3N5O/c27-26(28,29)21-12-19(25(35)32-22-5-3-4-18(13-22)20-16-30-31-17-20)14-24(15-21)34-10-6-23(7-11-34)33-8-1-2-9-33/h3-5,12-17,23H,1-2,6-11H2,(H,30,31)(H,32,35)
InChIKeyOLLGLQQNEADYOP-UHFFFAOYSA-N
XLogP5.41
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[3-(1H-pyrazol-4-yl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137632753
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CID 18377415
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
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CID 71276323
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
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CID 122488859
(3S,4S)-N-(3-Cyano-4-fluorophenyl)-1-oxo-3-(1H-pyrazole-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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4-methyl-3-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
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(3S,4S)-N-(3-cyano-4-fluorophenyl)-2-(2-ethylbutyl)-1-oxo-3-(1H-pyrazol-4-yl)-3,4-dihydroisoquinoline-4-carboxamide
CID 155514635

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (CID 44547431) is N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is OLLGLQQNEADYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c27-26(28,29)21-12-19(25(35)32-22-5-3-4-18(13-22)20-16-30-31-17-20)14-24(15-21)34-10-6-23(7-11-34)33-8-1-2-9-33/h3-5,12-17,23H,1-2,6-11H2,(H,30,31)(H,32,35).
What are the key properties of N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 483.54 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-4-yl)phenyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44547431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).