methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate

C12H19N3O3 — CID 66120627

IUPACmethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
SMILESCCc1cc(C(=O)NC(C)C(=O)OC)n(CC)n1
InChIInChI=1S/C12H19N3O3/c1-5-9-7-10(15(6-2)14-9)11(16)13-8(3)12(17)18-4/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyBLRPMPVBPFWAGG-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.76
Rot. Bonds5

About methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate

methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate (PubChem CID 66120627) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
PubChem CID66120627
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
SMILESCCc1cc(C(=O)NC(C)C(=O)OC)n(CC)n1
InChIInChI=1S/C12H19N3O3/c1-5-9-7-10(15(6-2)14-9)11(16)13-8(3)12(17)18-4/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyBLRPMPVBPFWAGG-UHFFFAOYSA-N
XLogP0.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
(2R)-4-amino-2-[(1,3-diethylpyrazole-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821220
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 66120822
methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66120831
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate (CID 66120627) is methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate is CCc1cc(C(=O)NC(C)C(=O)OC)n(CC)n1.
What is the InChIKey of methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate?
The InChIKey is BLRPMPVBPFWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-9-7-10(15(6-2)14-9)11(16)13-8(3)12(17)18-4/h7-8H,5-6H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate?
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 66120627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).