2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid

C19H16N6O3 — CID 155534711

IUPAC2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C19H16N6O3/c1-28-15-9-7-13(8-10-15)18-16(19-20-23-25(22-19)12-17(26)27)11-24(21-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,26,27)
InChIKeyREYIHGCDXHKNDY-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.29
Rot. Bonds6

About 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid

2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid (PubChem CID 155534711) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid
PubChem CID155534711
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C19H16N6O3/c1-28-15-9-7-13(8-10-15)18-16(19-20-23-25(22-19)12-17(26)27)11-24(21-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,26,27)
InChIKeyREYIHGCDXHKNDY-UHFFFAOYSA-N
XLogP2.29
TPSA107.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
2-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 3646870
(E)-1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6903053
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145966690
3-[4-[5-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-phenylpyrazol-1-yl]propanoic acid
CID 4425299
1-(1-ethyl-1H-pyrazol-4-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16189942
3-(2-fluoro-4-methoxyphenyl)-4-{[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]methyl}-1-phenyl-1H-pyrazole
CID 70786991
[1-[[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]triazol-4-yl]methanol
CID 145966966
1-[3-Phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone
CID 155521349
2-[5-[3-(2-Methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid
CID 155531632

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid (CID 155534711) is 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid?
The InChIKey is REYIHGCDXHKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-28-15-9-7-13(8-10-15)18-16(19-20-23-25(22-19)12-17(26)27)11-24(21-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,26,27).
What are the key properties of 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid?
2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid has a molecular weight of 376.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 155534711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).