methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate

C13H22N4O3 — CID 65354313

IUPACmethyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C13H22N4O3/c1-9(2)7-17(6-5-11(18)20-4)13(19)12-10(14)8-16(3)15-12/h8-9H,5-7,14H2,1-4H3
InChIKeyADSZQJRPJOMHAT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.66
Rot. Bonds6

About methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate

methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate (PubChem CID 65354313) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
PubChem CID65354313
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Namemethyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C13H22N4O3/c1-9(2)7-17(6-5-11(18)20-4)13(19)12-10(14)8-16(3)15-12/h8-9H,5-7,14H2,1-4H3
InChIKeyADSZQJRPJOMHAT-UHFFFAOYSA-N
XLogP0.66
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate with MolForge

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Related Compounds

4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
CID 79483753
methyl 3-[[2-(4-aminopyrazol-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 61110278
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103187371
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-3-carboxamide
CID 65354168
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
CID 65354414
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103337286
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoate
CID 66376689
ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 65358337
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate (CID 65354313) is methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1nn(C)cc1N.
What is the InChIKey of methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is ADSZQJRPJOMHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)7-17(6-5-11(18)20-4)13(19)12-10(14)8-16(3)15-12/h8-9H,5-7,14H2,1-4H3.
What are the key properties of methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate?
methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 282.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 65354313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).