N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide

C23H22ClF3N4O2 — CID 56836605

IUPACN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H22ClF3N4O2/c24-17-7-4-8-18(13-17)31-19(14-20(29-31)23(25,26)27)15-28-21(32)30-11-9-22(33,10-12-30)16-5-2-1-3-6-16/h1-8,13-14,33H,9-12,15H2,(H,28,32)
InChIKeyXYXCXXKDADJIAO-UHFFFAOYSA-N
MW478.90 g/mol
LogP4.74
Rot. Bonds4

About N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide

N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide (PubChem CID 56836605) has the molecular formula C23H22ClF3N4O2 and a molecular weight of 478.90 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
PubChem CID56836605
Molecular FormulaC23H22ClF3N4O2
Molecular Weight478.90 g/mol
Exact Mass478.14
IUPAC NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H22ClF3N4O2/c24-17-7-4-8-18(13-17)31-19(14-20(29-31)23(25,26)27)15-28-21(32)30-11-9-22(33,10-12-30)16-5-2-1-3-6-16/h1-8,13-14,33H,9-12,15H2,(H,28,32)
InChIKeyXYXCXXKDADJIAO-UHFFFAOYSA-N
XLogP4.74
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.90
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide (CID 56836605) is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide is O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The InChIKey is XYXCXXKDADJIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O2/c24-17-7-4-8-18(13-17)31-19(14-20(29-31)23(25,26)27)15-28-21(32)30-11-9-22(33,10-12-30)16-5-2-1-3-6-16/h1-8,13-14,33H,9-12,15H2,(H,28,32).
What are the key properties of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide has a molecular weight of 478.90 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 56836605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).