5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C23H26ClN5O2 — CID 46566773

IUPAC5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)=NN1c1ccccc1
InChIInChI=1S/C23H26ClN5O2/c24-17-8-6-16(7-9-17)15-28-12-10-18(11-13-28)26-23(31)20-14-21(22(25)30)29(27-20)19-4-2-1-3-5-19/h1-9,18,21H,10-15H2,(H2,25,30)(H,26,31)
InChIKeyLMPVGJHASDFHNX-UHFFFAOYSA-N
MW439.95 g/mol
LogP2.54
Rot. Bonds6

About 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 46566773) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID46566773
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)=NN1c1ccccc1
InChIInChI=1S/C23H26ClN5O2/c24-17-8-6-16(7-9-17)15-28-12-10-18(11-13-28)26-23(31)20-14-21(22(25)30)29(27-20)19-4-2-1-3-5-19/h1-9,18,21H,10-15H2,(H2,25,30)(H,26,31)
InChIKeyLMPVGJHASDFHNX-UHFFFAOYSA-N
XLogP2.54
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 71850043
(3S)-5-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39975097
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 46566773) is 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)=NN1c1ccccc1.
What is the InChIKey of 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is LMPVGJHASDFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c24-17-8-6-16(7-9-17)15-28-12-10-18(11-13-28)26-23(31)20-14-21(22(25)30)29(27-20)19-4-2-1-3-5-19/h1-9,18,21H,10-15H2,(H2,25,30)(H,26,31).
What are the key properties of 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 439.95 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 46566773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).