2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

C26H28N4O — CID 55527465

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H28N4O/c1-18-23(19(2)30(28-18)21-8-4-3-5-9-21)16-26(31)29-14-12-20(13-15-29)24-17-27-25-11-7-6-10-22(24)25/h3-11,17,20,27H,12-16H2,1-2H3
InChIKeyUOOORNBQOBRRDO-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.92
Rot. Bonds4

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 55527465) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID55527465
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H28N4O/c1-18-23(19(2)30(28-18)21-8-4-3-5-9-21)16-26(31)29-14-12-20(13-15-29)24-17-27-25-11-7-6-10-22(24)25/h3-11,17,20,27H,12-16H2,1-2H3
InChIKeyUOOORNBQOBRRDO-UHFFFAOYSA-N
XLogP4.92
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 133138621
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119487044
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349914
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
(2R)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119370730
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (CID 55527465) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is UOOORNBQOBRRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18-23(19(2)30(28-18)21-8-4-3-5-9-21)16-26(31)29-14-12-20(13-15-29)24-17-27-25-11-7-6-10-22(24)25/h3-11,17,20,27H,12-16H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 412.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55527465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).