methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate

C14H23N3O3 — CID 66120831

IUPACmethyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
SMILESCCc1cc(C(=O)N(C)CC(C)C(=O)OC)n(CC)n1
InChIInChI=1S/C14H23N3O3/c1-6-11-8-12(17(7-2)15-11)13(18)16(4)9-10(3)14(19)20-5/h8,10H,6-7,9H2,1-5H3
InChIKeyUOQITVNMOINQEI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.35
Rot. Bonds6

About methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 66120831) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID66120831
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
SMILESCCc1cc(C(=O)N(C)CC(C)C(=O)OC)n(CC)n1
InChIInChI=1S/C14H23N3O3/c1-6-11-8-12(17(7-2)15-11)13(18)16(4)9-10(3)14(19)20-5/h8,10H,6-7,9H2,1-5H3
InChIKeyUOQITVNMOINQEI-UHFFFAOYSA-N
XLogP1.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66123492
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 77113275
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-2-methylpropanoate
CID 66114468
methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
CID 61032488

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate (CID 66120831) is methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate is CCc1cc(C(=O)N(C)CC(C)C(=O)OC)n(CC)n1.
What is the InChIKey of methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is UOQITVNMOINQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-11-8-12(17(7-2)15-11)13(18)16(4)9-10(3)14(19)20-5/h8,10H,6-7,9H2,1-5H3.
What are the key properties of methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 281.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 66120831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).