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

C20H21N3O4 — CID 23174534

IUPAC2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
SMILESCOc1cc(Nc2ccn(-c3ccccc3)n2)c(OC)c(C)c1CC(=O)O
InChIInChI=1S/C20H21N3O4/c1-13-15(11-19(24)25)17(26-2)12-16(20(13)27-3)21-18-9-10-23(22-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyZACOXQCRTTUIOT-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.57
Rot. Bonds7

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

2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid (PubChem CID 23174534) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
PubChem CID23174534
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
SMILESCOc1cc(Nc2ccn(-c3ccccc3)n2)c(OC)c(C)c1CC(=O)O
InChIInChI=1S/C20H21N3O4/c1-13-15(11-19(24)25)17(26-2)12-16(20(13)27-3)21-18-9-10-23(22-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyZACOXQCRTTUIOT-UHFFFAOYSA-N
XLogP3.57
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid
CID 23174515
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine
CID 173348604
[2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]phenyl] methyl carbonate
CID 67792763
3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
CID 55537143
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoic acid
CID 23174493
methyl 3-(3,4-dimethoxyphenyl)-3-[(1-phenylpyrazol-3-yl)carbamoylamino]propanoate
CID 47032953
1-(4-methoxyphenyl)-N-phenylpyrazol-3-amine
CID 21272312
N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799534
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid (CID 23174534) is 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid is COc1cc(Nc2ccn(-c3ccccc3)n2)c(OC)c(C)c1CC(=O)O.
What is the InChIKey of 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
The InChIKey is ZACOXQCRTTUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-15(11-19(24)25)17(26-2)12-16(20(13)27-3)21-18-9-10-23(22-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,21,22)(H,24,25).
What are the key properties of 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid?
2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid has a molecular weight of 367.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 23174534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).