[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate

C24H20N2O4 — CID 1061733

IUPAC[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2OC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-20-13-11-19(12-14-20)26-23(16-22(25-26)17-7-4-3-5-8-17)30-24(27)18-9-6-10-21(15-18)29-2/h3-16H,1-2H3
InChIKeyIKQKLJKWKLGWKF-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.78
Rot. Bonds6

About [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate (PubChem CID 1061733) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
PubChem CID1061733
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2OC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-20-13-11-19(12-14-20)26-23(16-22(25-26)17-7-4-3-5-8-17)30-24(27)18-9-6-10-21(15-18)29-2/h3-16H,1-2H3
InChIKeyIKQKLJKWKLGWKF-UHFFFAOYSA-N
XLogP4.78
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl] 3-fluorobenzoate
CID 1061718
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl] naphthalene-1-carboxylate
CID 42726997
3-methoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42731959
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42727332
(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate
CID 1474661
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
3-methoxy-N-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide
CID 134798353
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 3-methoxybenzoate
CID 23936949
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate?
The IUPAC name of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate (CID 1061733) is [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate?
The canonical SMILES for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate is COc1ccc(-n2nc(-c3ccccc3)cc2OC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate?
The InChIKey is IKQKLJKWKLGWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-28-20-13-11-19(12-14-20)26-23(16-22(25-26)17-7-4-3-5-8-17)30-24(27)18-9-6-10-21(15-18)29-2/h3-16H,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate?
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate has a molecular weight of 400.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate is sourced from PubChem (CID 1061733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).