methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate

C20H21N3O4 — CID 121364663

IUPACmethyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)OC
InChIInChI=1S/C20H21N3O4/c1-26-14-18-17(20(25)27-2)13-23(21-18)12-16-8-6-15(7-9-16)11-22-10-4-3-5-19(22)24/h3-10,13H,11-12,14H2,1-2H3
InChIKeyDISUFGSPBQZCJO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.07
Rot. Bonds7

About methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate

methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate (PubChem CID 121364663) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate
PubChem CID121364663
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)OC
InChIInChI=1S/C20H21N3O4/c1-26-14-18-17(20(25)27-2)13-23(21-18)12-16-8-6-15(7-9-16)11-22-10-4-3-5-19(22)24/h3-10,13H,11-12,14H2,1-2H3
InChIKeyDISUFGSPBQZCJO-UHFFFAOYSA-N
XLogP2.07
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate (CID 121364663) is methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate?
The InChIKey is DISUFGSPBQZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-14-18-17(20(25)27-2)13-23(21-18)12-16-8-6-15(7-9-16)11-22-10-4-3-5-19(22)24/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate?
methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 121364663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).