methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate

C14H23N3O3 — CID 61032488

IUPACmethyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
SMILESCCn1nc(C(C)C)cc1C(=O)N(C)CCC(=O)OC
InChIInChI=1S/C14H23N3O3/c1-6-17-12(9-11(15-17)10(2)3)14(19)16(4)8-7-13(18)20-5/h9-10H,6-8H2,1-5H3
InChIKeyDJSYGBTXPDWKOP-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.66
Rot. Bonds6

About methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate

methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate (PubChem CID 61032488) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
PubChem CID61032488
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
SMILESCCn1nc(C(C)C)cc1C(=O)N(C)CCC(=O)OC
InChIInChI=1S/C14H23N3O3/c1-6-17-12(9-11(15-17)10(2)3)14(19)16(4)8-7-13(18)20-5/h9-10H,6-8H2,1-5H3
InChIKeyDJSYGBTXPDWKOP-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate (CID 61032488) is methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate is CCn1nc(C(C)C)cc1C(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
The InChIKey is DJSYGBTXPDWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-17-12(9-11(15-17)10(2)3)14(19)16(4)8-7-13(18)20-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate has a molecular weight of 281.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 61032488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).