methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate

C10H15N3O4 — CID 113344254

IUPACmethyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cnn(C)c1C
InChIInChI=1S/C10H15N3O4/c1-6-7(4-12-13(6)2)9(15)11-5-8(14)10(16)17-3/h4,8,14H,5H2,1-3H3,(H,11,15)
InChIKeyPIYSGIAXWDSKAH-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.01
Rot. Bonds4

About methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 113344254) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
PubChem CID113344254
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cnn(C)c1C
InChIInChI=1S/C10H15N3O4/c1-6-7(4-12-13(6)2)9(15)11-5-8(14)10(16)17-3/h4,8,14H,5H2,1-3H3,(H,11,15)
InChIKeyPIYSGIAXWDSKAH-UHFFFAOYSA-N
XLogP-1.01
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
CID 103492895
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 66171165
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
CID 55008401

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate (CID 113344254) is methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1cnn(C)c1C.
What is the InChIKey of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is PIYSGIAXWDSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-7(4-12-13(6)2)9(15)11-5-8(14)10(16)17-3/h4,8,14H,5H2,1-3H3,(H,11,15).
What are the key properties of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 241.25 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 113344254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).