methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate

C14H25N3O3 — CID 115536442

IUPACmethyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCCc1cc(CN(CCOC)CCC(=O)OC)n(C)n1
InChIInChI=1S/C14H25N3O3/c1-5-12-10-13(16(2)15-12)11-17(8-9-19-3)7-6-14(18)20-4/h10H,5-9,11H2,1-4H3
InChIKeyNXBMXWMDJWTBSM-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.99
Rot. Bonds9

About methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate (PubChem CID 115536442) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate
PubChem CID115536442
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCCc1cc(CN(CCOC)CCC(=O)OC)n(C)n1
InChIInChI=1S/C14H25N3O3/c1-5-12-10-13(16(2)15-12)11-17(8-9-19-3)7-6-14(18)20-4/h10H,5-9,11H2,1-4H3
InChIKeyNXBMXWMDJWTBSM-UHFFFAOYSA-N
XLogP0.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536390
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 3-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536361
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
methyl 3-[(4,6-dichloro-3-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 116519887
1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389742
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258433
methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115970502
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate (CID 115536442) is methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate is CCc1cc(CN(CCOC)CCC(=O)OC)n(C)n1.
What is the InChIKey of methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is NXBMXWMDJWTBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-12-10-13(16(2)15-12)11-17(8-9-19-3)7-6-14(18)20-4/h10H,5-9,11H2,1-4H3.
What are the key properties of methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 283.37 g/mol, XLogP of 0.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115536442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).