[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate

C13H19N3O3 — CID 55569507

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate
SMILESCC(C)N(C)C(=O)COC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H19N3O3/c1-8(2)16(3)12(17)7-19-13(18)11-6-10(14-15-11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyXDHYVRODUGSWMZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.31
Rot. Bonds5

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate (PubChem CID 55569507) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate
PubChem CID55569507
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate
SMILESCC(C)N(C)C(=O)COC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H19N3O3/c1-8(2)16(3)12(17)7-19-13(18)11-6-10(14-15-11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyXDHYVRODUGSWMZ-UHFFFAOYSA-N
XLogP1.31
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate 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 [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate (CID 55569507) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate is CC(C)N(C)C(=O)COC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The InChIKey is XDHYVRODUGSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16(3)12(17)7-19-13(18)11-6-10(14-15-11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55569507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).