methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate

C11H17N3O4 — CID 104964317

IUPACmethyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
SMILESCCc1nn(C)cc1C(=O)NC(CO)C(=O)OC
InChIInChI=1S/C11H17N3O4/c1-4-8-7(5-14(2)13-8)10(16)12-9(6-15)11(17)18-3/h5,9,15H,4,6H2,1-3H3,(H,12,16)
InChIKeyOKYYSLKFWDWOBA-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.75
Rot. Bonds5

About methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate

methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 104964317) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
PubChem CID104964317
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
SMILESCCc1nn(C)cc1C(=O)NC(CO)C(=O)OC
InChIInChI=1S/C11H17N3O4/c1-4-8-7(5-14(2)13-8)10(16)12-9(6-15)11(17)18-3/h5,9,15H,4,6H2,1-3H3,(H,12,16)
InChIKeyOKYYSLKFWDWOBA-UHFFFAOYSA-N
XLogP-0.75
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 104919693
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 9277967
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
CID 9277921
3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
CID 103893398

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate (CID 104964317) is methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate is CCc1nn(C)cc1C(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is OKYYSLKFWDWOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-8-7(5-14(2)13-8)10(16)12-9(6-15)11(17)18-3/h5,9,15H,4,6H2,1-3H3,(H,12,16).
What are the key properties of methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 255.27 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 104964317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).