2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid

C20H25N3O3 — CID 119177850

IUPAC2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C20H25N3O3/c1-14-18(15(2)23(21-14)17-6-4-3-5-7-17)13-19(24)22-10-8-16(9-11-22)12-20(25)26/h3-7,16H,8-13H2,1-2H3,(H,25,26)
InChIKeyUBKHOPSDZPRWIQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid (PubChem CID 119177850) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
PubChem CID119177850
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C20H25N3O3/c1-14-18(15(2)23(21-14)17-6-4-3-5-7-17)13-19(24)22-10-8-16(9-11-22)12-20(25)26/h3-7,16H,8-13H2,1-2H3,(H,25,26)
InChIKeyUBKHOPSDZPRWIQ-UHFFFAOYSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-4-yl]acetic acid
CID 119178008
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119487044
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 133138621
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349914
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 55527465
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120684687
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid (CID 119177850) is 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is UBKHOPSDZPRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-18(15(2)23(21-14)17-6-4-3-5-7-17)13-19(24)22-10-8-16(9-11-22)12-20(25)26/h3-7,16H,8-13H2,1-2H3,(H,25,26).
What are the key properties of 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 355.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).