3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole

C12H19N3O — CID 84724817

IUPAC3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
SMILESCOc1cc(C2CCC2)nn1C1CCNC1
InChIInChI=1S/C12H19N3O/c1-16-12-7-11(9-3-2-4-9)14-15(12)10-5-6-13-8-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyMCXDKBMZTCUYTL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds3

About 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole

3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole (PubChem CID 84724817) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
PubChem CID84724817
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
SMILESCOc1cc(C2CCC2)nn1C1CCNC1
InChIInChI=1S/C12H19N3O/c1-16-12-7-11(9-3-2-4-9)14-15(12)10-5-6-13-8-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyMCXDKBMZTCUYTL-UHFFFAOYSA-N
XLogP1.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole 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

5-methoxy-3-propyl-1-pyrrolidin-3-ylpyrazole
CID 84722964
4-(5-methoxy-3-propylpyrazol-1-yl)piperidine
CID 84725332
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
2-(3-cyclopentyl-5-methoxypyrazol-1-yl)acetic acid
CID 84725509
6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
CID 82105255
4-cycloheptyl-1-pyrrolidin-3-yltriazole
CID 115040470
7-methoxy-1-pyrrolidin-3-ylindazole
CID 84682928
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
3-methoxy-6-piperidin-3-ylpyridazin-4-amine
CID 117105660
(2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841109
7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837460
(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841253

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole (CID 84724817) is 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole is COc1cc(C2CCC2)nn1C1CCNC1.
What is the InChIKey of 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
The InChIKey is MCXDKBMZTCUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-7-11(9-3-2-4-9)14-15(12)10-5-6-13-8-10/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole has a molecular weight of 221.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 84724817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).