methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate

C9H13N3O4 — CID 103958201

IUPACmethyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C9H13N3O4/c1-5-6(3-11-12-5)8(14)10-4-7(13)9(15)16-2/h3,7,13H,4H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyBGWVVQCCTDPTOJ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.02
Rot. Bonds4

About methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate (PubChem CID 103958201) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
PubChem CID103958201
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C9H13N3O4/c1-5-6(3-11-12-5)8(14)10-4-7(13)9(15)16-2/h3,7,13H,4H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyBGWVVQCCTDPTOJ-UHFFFAOYSA-N
XLogP-1.02
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate (CID 103958201) is methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1cn[nH]c1C.
What is the InChIKey of methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The InChIKey is BGWVVQCCTDPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5-6(3-11-12-5)8(14)10-4-7(13)9(15)16-2/h3,7,13H,4H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate has a molecular weight of 227.22 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103958201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).