1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole

C12H21N3 — CID 83909101

IUPAC1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
SMILESCc1cc(C(C)(C)C2CCNC2)n(C)n1
InChIInChI=1S/C12H21N3/c1-9-7-11(15(4)14-9)12(2,3)10-5-6-13-8-10/h7,10,13H,5-6,8H2,1-4H3
InChIKeyXKJXCCLIWNXLLU-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.62
Rot. Bonds2

About 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole

1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole (PubChem CID 83909101) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
PubChem CID83909101
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
SMILESCc1cc(C(C)(C)C2CCNC2)n(C)n1
InChIInChI=1S/C12H21N3/c1-9-7-11(15(4)14-9)12(2,3)10-5-6-13-8-10/h7,10,13H,5-6,8H2,1-4H3
InChIKeyXKJXCCLIWNXLLU-UHFFFAOYSA-N
XLogP1.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole 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

1-methyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83907630
1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 83828117
2-cyclopropyl-2-(2,5-dimethylpyrazol-3-yl)propan-1-amine
CID 83830552
5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole
CID 83907735
5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole
CID 135170462
4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine
CID 145127495
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine
CID 82625311
1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
CID 127016465
5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
CID 135170466
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 114700062
1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
CID 130787693

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole?
The IUPAC name of 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole (CID 83909101) is 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole?
The canonical SMILES for 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole is Cc1cc(C(C)(C)C2CCNC2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole?
The InChIKey is XKJXCCLIWNXLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-7-11(15(4)14-9)12(2,3)10-5-6-13-8-10/h7,10,13H,5-6,8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole?
1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole is sourced from PubChem (CID 83909101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).