(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate

C19H18N2O3 — CID 7700000

IUPAC(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-23-14-18(22)24-13-16-12-21(17-10-6-3-7-11-17)20-19(16)15-8-4-2-5-9-15/h2-12H,13-14H2,1H3
InChIKeyJLRRYXXGLXDSTE-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.23
Rot. Bonds6

About (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate

(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate (PubChem CID 7700000) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
PubChem CID7700000
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-23-14-18(22)24-13-16-12-21(17-10-6-3-7-11-17)20-19(16)15-8-4-2-5-9-15/h2-12H,13-14H2,1H3
InChIKeyJLRRYXXGLXDSTE-UHFFFAOYSA-N
XLogP3.23
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 7703542
(1,3-diphenylpyrazol-4-yl)methyl (2E,4E)-hexa-2,4-dienoate
CID 7700088
(1,3-diphenylpyrazol-4-yl)methyl 4-tert-butylbenzoate
CID 2119337
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-phenylsulfanylacetate
CID 4846573
(1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 24600453
(1,3-diphenylpyrazol-4-yl)methyl naphthalene-2-carboxylate
CID 7697736
(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18279019
(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55414239
(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 27270686
(1,3-diphenylpyrazol-4-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55392353
(1,3-diphenylpyrazol-4-yl)methyl 1,4-dioxane-2-carboxylate
CID 71896521
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl 2-fluorobenzoate
CID 4661548

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate (CID 7700000) is (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate is COCC(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate?
The InChIKey is JLRRYXXGLXDSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-14-18(22)24-13-16-12-21(17-10-6-3-7-11-17)20-19(16)15-8-4-2-5-9-15/h2-12H,13-14H2,1H3.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate?
(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate has a molecular weight of 322.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 7700000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).