methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate

C11H17N3O4 — CID 78959070

IUPACmethyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccn[nH]1
InChIInChI=1S/C11H17N3O4/c1-17-8-7-14(6-4-10(15)18-2)11(16)9-3-5-12-13-9/h3,5H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyDNABUCZXMNUBRF-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.06
Rot. Bonds7

About methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate

methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate (PubChem CID 78959070) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
PubChem CID78959070
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccn[nH]1
InChIInChI=1S/C11H17N3O4/c1-17-8-7-14(6-4-10(15)18-2)11(16)9-3-5-12-13-9/h3,5H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyDNABUCZXMNUBRF-UHFFFAOYSA-N
XLogP0.06
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79078825
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate
CID 60779531
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
CID 78959965

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate (CID 78959070) is methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1ccn[nH]1.
What is the InChIKey of methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate?
The InChIKey is DNABUCZXMNUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-8-7-14(6-4-10(15)18-2)11(16)9-3-5-12-13-9/h3,5H,4,6-8H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate?
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate has a molecular weight of 255.27 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 78959070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).