5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide

C23H25N5O2 — CID 51999445

IUPAC5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17(29)24-22-16-21(26-28(22)20-8-4-2-5-9-20)23(30)25-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyDWAFLSIWUOGJDG-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.07
Rot. Bonds5

About 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide

5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide (PubChem CID 51999445) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
PubChem CID51999445
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17(29)24-22-16-21(26-28(22)20-8-4-2-5-9-20)23(30)25-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyDWAFLSIWUOGJDG-UHFFFAOYSA-N
XLogP4.07
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55892546
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 51998569
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
CID 51999466
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide (CID 51999445) is 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is DWAFLSIWUOGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17(29)24-22-16-21(26-28(22)20-8-4-2-5-9-20)23(30)25-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 51999445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).