2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid

C21H23N3O2 — CID 23174515

IUPAC2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
SMILESCc1c(C)c(Nc2ccn(-c3ccccc3)n2)c(C)c(C)c1CC(=O)O
InChIInChI=1S/C21H23N3O2/c1-13-15(3)21(16(4)14(2)18(13)12-20(25)26)22-19-10-11-24(23-19)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,23)(H,25,26)
InChIKeyLRBBBQRUNGSSPJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.48
Rot. Bonds5

About 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid

2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid (PubChem CID 23174515) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
PubChem CID23174515
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
SMILESCc1c(C)c(Nc2ccn(-c3ccccc3)n2)c(C)c(C)c1CC(=O)O
InChIInChI=1S/C21H23N3O2/c1-13-15(3)21(16(4)14(2)18(13)12-20(25)26)22-19-10-11-24(23-19)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,23)(H,25,26)
InChIKeyLRBBBQRUNGSSPJ-UHFFFAOYSA-N
XLogP4.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine
CID 173348604
2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
CID 23174534
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoic acid
CID 23174493
2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315845
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
oxo-[[4-[(1-phenylpyrazol-3-yl)amino]phenyl]methyl]sulfanium
CID 175374186
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
3-(3-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547813
N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid (CID 23174515) is 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid is Cc1c(C)c(Nc2ccn(-c3ccccc3)n2)c(C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
The InChIKey is LRBBBQRUNGSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-15(3)21(16(4)14(2)18(13)12-20(25)26)22-19-10-11-24(23-19)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,23)(H,25,26).
What are the key properties of 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid has a molecular weight of 349.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 23174515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).