[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone

C28H27N3O — CID 46704929

IUPAC[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H27N3O/c1-21-12-14-24(15-13-21)28(32)30-18-16-25(17-19-30)31-27(23-10-6-3-7-11-23)20-26(29-31)22-8-4-2-5-9-22/h2-15,20,25H,16-19H2,1H3
InChIKeyFZLKBLJYGFMLFS-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.00
Rot. Bonds4

About [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone

[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 46704929) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID46704929
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H27N3O/c1-21-12-14-24(15-13-21)28(32)30-18-16-25(17-19-30)31-27(23-10-6-3-7-11-23)20-26(29-31)22-8-4-2-5-9-22/h2-15,20,25H,16-19H2,1H3
InChIKeyFZLKBLJYGFMLFS-UHFFFAOYSA-N
XLogP6.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 46704974
[3,5-bis(trifluoromethyl)phenyl]-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]methanone
CID 46097776
4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
CID 59007278
(3R)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768050
(3S)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768051
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110875671
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 46704929) is [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is FZLKBLJYGFMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-21-12-14-24(15-13-21)28(32)30-18-16-25(17-19-30)31-27(23-10-6-3-7-11-23)20-26(29-31)22-8-4-2-5-9-22/h2-15,20,25H,16-19H2,1H3.
What are the key properties of [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 421.54 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 46704929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).