N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

C25H26ClN5O2 — CID 146878995

IUPACN-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1
InChIInChI=1S/C25H26ClN5O2/c1-30-22(21(16-28-30)25(33)29-20-11-9-19(26)10-12-20)15-23(32)17-5-7-18(8-6-17)24(27)31-13-3-2-4-14-31/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33)/b27-24-
InChIKeySRLDJGSKICEZTA-PNHLSOANSA-N
MW463.97 g/mol
LogP4.56
Rot. Bonds6

About N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 146878995) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID146878995
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1
InChIInChI=1S/C25H26ClN5O2/c1-30-22(21(16-28-30)25(33)29-20-11-9-19(26)10-12-20)15-23(32)17-5-7-18(8-6-17)24(27)31-13-3-2-4-14-31/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33)/b27-24-
InChIKeySRLDJGSKICEZTA-PNHLSOANSA-N
XLogP4.56
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-[3-(1H-pyrazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 121317991
N-(4-chlorophenyl)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 121317960
N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1342673
N-(4-chlorophenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7040530
N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 2810623
N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637491
N-(4-chlorophenyl)-1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 1342253
N-(2-benzoyl-4-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 19262438
N-(2-benzoyl-4-chlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 19475274
5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134788704
Tert-butyl 4-{4-[(4-chlorophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-YL}piperidine-1-carboxylate
CID 46281031
N-(4-chloro-2-fluorophenyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
CID 18728000

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 146878995) is N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is SRLDJGSKICEZTA-PNHLSOANSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-30-22(21(16-28-30)25(33)29-20-11-9-19(26)10-12-20)15-23(32)17-5-7-18(8-6-17)24(27)31-13-3-2-4-14-31/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33)/b27-24-.
What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146878995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).