2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid

C24H28N2O2 — CID 68653691

IUPAC2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid
SMILESCc1n[nH]c(C)c1-c1ccc(CCC(CCCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H28N2O2/c1-17-23(18(2)26-25-17)21-14-11-20(12-15-21)13-16-22(24(27)28)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-12,14-15,22H,6,9-10,13,16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyCJHCGPHUNLBVKH-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.35
Rot. Bonds9

About 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid

2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid (PubChem CID 68653691) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid
PubChem CID68653691
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid
SMILESCc1n[nH]c(C)c1-c1ccc(CCC(CCCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H28N2O2/c1-17-23(18(2)26-25-17)21-14-11-20(12-15-21)13-16-22(24(27)28)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-12,14-15,22H,6,9-10,13,16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyCJHCGPHUNLBVKH-UHFFFAOYSA-N
XLogP5.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine
CID 82039739
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
CID 143824359
CID 143824359
2-[2-[4-(3-cyano-4-methoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
CID 46244326
3,5-dimethyl-4-phenyl-1H-pyrazole;methyl 3-aminopropanoate
CID 153352780
N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 53197929
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
CID 46244432

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid (CID 68653691) is 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid is Cc1n[nH]c(C)c1-c1ccc(CCC(CCCc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid?
The InChIKey is CJHCGPHUNLBVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-23(18(2)26-25-17)21-14-11-20(12-15-21)13-16-22(24(27)28)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-12,14-15,22H,6,9-10,13,16H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid?
2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid has a molecular weight of 376.50 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 68653691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).