[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate

C15H23N3O4 — CID 86953636

IUPAC[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate
SMILESCc1cc(C(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1C
InChIInChI=1S/C15H23N3O4/c1-10-8-12(16-17(10)5)13(19)21-11-6-7-18(9-11)14(20)22-15(2,3)4/h8,11H,6-7,9H2,1-5H3/t11-/m0/s1
InChIKeyNBZGAPKTWZWCGV-NSHDSACASA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds2

About [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate

[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate (PubChem CID 86953636) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate
PubChem CID86953636
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate
SMILESCc1cc(C(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1C
InChIInChI=1S/C15H23N3O4/c1-10-8-12(16-17(10)5)13(19)21-11-6-7-18(9-11)14(20)22-15(2,3)4/h8,11H,6-7,9H2,1-5H3/t11-/m0/s1
InChIKeyNBZGAPKTWZWCGV-NSHDSACASA-N
XLogP1.89
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-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

Related Compounds

tert-butyl (3S)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]oxypyrrolidine-1-carboxylate
CID 95630220
tert-butyl 1,5-dimethylpyrazole-3-carboxylate
CID 130485579
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl (3R)-3-[3-(3-fluorophenyl)benzoyl]oxypyrrolidine-1-carboxylate
CID 149359245
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate
CID 175191066
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 1,5-dimethylpyrazole-3-carboxylate
CID 86889911
ethyl 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-3-carboxylate
CID 138857556

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate (CID 86953636) is [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate is Cc1cc(C(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1C.
What is the InChIKey of [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is NBZGAPKTWZWCGV-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-8-12(16-17(10)5)13(19)21-11-6-7-18(9-11)14(20)22-15(2,3)4/h8,11H,6-7,9H2,1-5H3/t11-/m0/s1.
What are the key properties of [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate?
[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 86953636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).