1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

C11H19BrN4 — CID 118690665

IUPAC1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CCCN1c1cc(Br)nn1C
InChIInChI=1S/C11H19BrN4/c1-14(2)8-9-5-4-6-16(9)11-7-10(12)13-15(11)3/h7,9H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyUAIAPNYWTHXFCW-SECBINFHSA-N
MW287.21 g/mol
LogP1.71
Rot. Bonds3

About 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 118690665) has the molecular formula C11H19BrN4 and a molecular weight of 287.21 g/mol. Its IUPAC name is 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID118690665
Molecular FormulaC11H19BrN4
Molecular Weight287.21 g/mol
Exact Mass286.08
IUPAC Name1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CCCN1c1cc(Br)nn1C
InChIInChI=1S/C11H19BrN4/c1-14(2)8-9-5-4-6-16(9)11-7-10(12)13-15(11)3/h7,9H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyUAIAPNYWTHXFCW-SECBINFHSA-N
XLogP1.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine 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 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 118690665) is 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1CCCN1c1cc(Br)nn1C.
What is the InChIKey of 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is UAIAPNYWTHXFCW-SECBINFHSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-14(2)8-9-5-4-6-16(9)11-7-10(12)13-15(11)3/h7,9H,4-6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 287.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 118690665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).