2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid

C22H20N4O2 — CID 12029595

IUPAC2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid
SMILESCc1cc(C)n(C(C(=O)O)n2nc(-c3ccccc3)cc2-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c1-15-13-16(2)25(23-15)21(22(27)28)26-20(18-11-7-4-8-12-18)14-19(24-26)17-9-5-3-6-10-17/h3-14,21H,1-2H3,(H,27,28)
InChIKeyDITCHOIUXXDNDJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.16
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid

2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid (PubChem CID 12029595) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid
PubChem CID12029595
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid
SMILESCc1cc(C)n(C(C(=O)O)n2nc(-c3ccccc3)cc2-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c1-15-13-16(2)25(23-15)21(22(27)28)26-20(18-11-7-4-8-12-18)14-19(24-26)17-9-5-3-6-10-17/h3-14,21H,1-2H3,(H,27,28)
InChIKeyDITCHOIUXXDNDJ-UHFFFAOYSA-N
XLogP4.16
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid;dichlororuthenium;triphenylphosphanium
CID 6394205
2,2-bis(3,5-dimethylpyrazol-1-yl)ethanethioic S-acid
CID 101366355
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine
CID 90863445
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
ethyl 3-[3-(1-ethoxycarbonyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole-1-carboxylate
CID 118529532
2-(6-oxo-3-phenylpyridazin-1-yl)butanedioic acid
CID 77106165
2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid
CID 102354187
phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
CID 134910036
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95314518
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid (CID 12029595) is 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid is Cc1cc(C)n(C(C(=O)O)n2nc(-c3ccccc3)cc2-c2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid?
The InChIKey is DITCHOIUXXDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-13-16(2)25(23-15)21(22(27)28)26-20(18-11-7-4-8-12-18)14-19(24-26)17-9-5-3-6-10-17/h3-14,21H,1-2H3,(H,27,28).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid?
2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid has a molecular weight of 372.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 12029595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).