methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate

C12H17N3O3 — CID 43623792

IUPACmethyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-6-4-5-9(15)12(17)18-3/h9H,4-6H2,1-3H3,(H,13,14)
InChIKeyVETJXLOTNXQSOS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.80
Rot. Bonds2

About methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43623792) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43623792
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-6-4-5-9(15)12(17)18-3/h9H,4-6H2,1-3H3,(H,13,14)
InChIKeyVETJXLOTNXQSOS-UHFFFAOYSA-N
XLogP0.80
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-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 methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate (CID 43623792) is methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is VETJXLOTNXQSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-6-4-5-9(15)12(17)18-3/h9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43623792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).