methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate

C15H25N3O3 — CID 115537733

IUPACmethyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate
SMILESCCC(C)n1ccc(CN2CCOC(CC(=O)OC)C2)n1
InChIInChI=1S/C15H25N3O3/c1-4-12(2)18-6-5-13(16-18)10-17-7-8-21-14(11-17)9-15(19)20-3/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyLAWBMXZYHFXSFB-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.62
Rot. Bonds6

About methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate (PubChem CID 115537733) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate
PubChem CID115537733
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namemethyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate
SMILESCCC(C)n1ccc(CN2CCOC(CC(=O)OC)C2)n1
InChIInChI=1S/C15H25N3O3/c1-4-12(2)18-6-5-13(16-18)10-17-7-8-21-14(11-17)9-15(19)20-3/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyLAWBMXZYHFXSFB-UHFFFAOYSA-N
XLogP1.62
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 115824593
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537767
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
CID 79822362
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
CID 115537740
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate (CID 115537733) is methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate is CCC(C)n1ccc(CN2CCOC(CC(=O)OC)C2)n1.
What is the InChIKey of methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate?
The InChIKey is LAWBMXZYHFXSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-12(2)18-6-5-13(16-18)10-17-7-8-21-14(11-17)9-15(19)20-3/h5-6,12,14H,4,7-11H2,1-3H3.
What are the key properties of methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate has a molecular weight of 295.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 115537733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).