methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate

C11H17N3O3 — CID 66122439

IUPACmethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
SMILESCCn1nc(C)cc1C(=O)NC(C)C(=O)OC
InChIInChI=1S/C11H17N3O3/c1-5-14-9(6-7(2)13-14)10(15)12-8(3)11(16)17-4/h6,8H,5H2,1-4H3,(H,12,15)
InChIKeyZVLDKVRIOCVWLF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate

methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate (PubChem CID 66122439) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
PubChem CID66122439
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
SMILESCCn1nc(C)cc1C(=O)NC(C)C(=O)OC
InChIInChI=1S/C11H17N3O3/c1-5-14-9(6-7(2)13-14)10(15)12-8(3)11(16)17-4/h6,8H,5H2,1-4H3,(H,12,15)
InChIKeyZVLDKVRIOCVWLF-UHFFFAOYSA-N
XLogP0.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 62732888
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077130
N-(1-amino-4-methylpentan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119698
2-ethyl-N-(1-iodo-3-methylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 107860041
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate (CID 66122439) is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate is CCn1nc(C)cc1C(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate?
The InChIKey is ZVLDKVRIOCVWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-14-9(6-7(2)13-14)10(15)12-8(3)11(16)17-4/h6,8H,5H2,1-4H3,(H,12,15).
What are the key properties of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate?
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 66122439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).