ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate

C19H26N4O4 — CID 166101636

IUPACethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)cc1Cc1cccnc1OCCN1CCOCC1
InChIInChI=1S/C19H26N4O4/c1-3-26-19(24)17-16(14-22(2)21-17)13-15-5-4-6-20-18(15)27-12-9-23-7-10-25-11-8-23/h4-6,14H,3,7-13H2,1-2H3
InChIKeyUDRFTJPWUSTOIS-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.29
Rot. Bonds8

About ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate

ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate (PubChem CID 166101636) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate
PubChem CID166101636
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)cc1Cc1cccnc1OCCN1CCOCC1
InChIInChI=1S/C19H26N4O4/c1-3-26-19(24)17-16(14-22(2)21-17)13-15-5-4-6-20-18(15)27-12-9-23-7-10-25-11-8-23/h4-6,14H,3,7-13H2,1-2H3
InChIKeyUDRFTJPWUSTOIS-UHFFFAOYSA-N
XLogP1.29
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]butane-1,3-dione
CID 175634401
2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one
CID 166101420
ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
CID 110444216
ethyl 3-[1,5-dimethyl-4-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrazol-3-yl]-3-oxopropanoate
CID 171763234
4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine
CID 171763242
ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400669
ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
CID 157252746
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 90484229
ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate
CID 18693283
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate (CID 166101636) is ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate is CCOC(=O)c1nn(C)cc1Cc1cccnc1OCCN1CCOCC1.
What is the InChIKey of ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate?
The InChIKey is UDRFTJPWUSTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-26-19(24)17-16(14-22(2)21-17)13-15-5-4-6-20-18(15)27-12-9-23-7-10-25-11-8-23/h4-6,14H,3,7-13H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate?
ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 166101636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).