2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone

C22H23N3O — CID 4799063

IUPAC2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H23N3O/c26-21(24-14-8-3-9-15-24)16-19-17-25(20-12-6-2-7-13-20)23-22(19)18-10-4-1-5-11-18/h1-2,4-7,10-13,17H,3,8-9,14-16H2
InChIKeyQELFRBJVLDCBNV-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.09
Rot. Bonds4

About 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone

2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone (PubChem CID 4799063) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
PubChem CID4799063
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H23N3O/c26-21(24-14-8-3-9-15-24)16-19-17-25(20-12-6-2-7-13-20)23-22(19)18-10-4-1-5-11-18/h1-2,4-7,10-13,17H,3,8-9,14-16H2
InChIKeyQELFRBJVLDCBNV-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}piperidine
CID 1288695
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-[2-(1-phenyl-1H-pyrazol-3-yl)ethyl]cyclohexanecarboxamide
CID 47092747
4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6258408
2-Phenyl-5-propyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
CID 10804397
5-Methyl-2-phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
CID 10826247

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone (CID 4799063) is 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone is O=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone?
The InChIKey is QELFRBJVLDCBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-21(24-14-8-3-9-15-24)16-19-17-25(20-12-6-2-7-13-20)23-22(19)18-10-4-1-5-11-18/h1-2,4-7,10-13,17H,3,8-9,14-16H2.
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone?
2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone has a molecular weight of 345.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 4799063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).