[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone

C22H23N3O — CID 811995

IUPAC[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H23N3O/c1-17-10-12-19(13-11-17)25-21(22(26)24-14-6-3-7-15-24)16-20(23-25)18-8-4-2-5-9-18/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3
InChIKeyKPADAHMCRFJRJL-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.47
Rot. Bonds3

About [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone

[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 811995) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID811995
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H23N3O/c1-17-10-12-19(13-11-17)25-21(22(26)24-14-6-3-7-15-24)16-20(23-25)18-8-4-2-5-9-18/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3
InChIKeyKPADAHMCRFJRJL-UHFFFAOYSA-N
XLogP4.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
1-[4-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 5003812
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 3651185
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348
[3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 5030798
ethyl 1-[1-(4-chlorophenyl)-3-phenylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42754580
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
(4-ethylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 7249121
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 4040935
1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
CID 60589023
(4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 7360582

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone (CID 811995) is [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone is Cc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is KPADAHMCRFJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-10-12-19(13-11-17)25-21(22(26)24-14-6-3-7-15-24)16-20(23-25)18-8-4-2-5-9-18/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3.
What are the key properties of [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone?
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 345.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 811995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).