(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine

C10H17BrN4 — CID 118690498

IUPAC(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(c2cc(Br)nn2C)C1
InChIInChI=1S/C10H17BrN4/c1-13(2)8-4-5-15(7-8)10-6-9(11)12-14(10)3/h6,8H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKeyWXHVOAMKGZWOST-MRVPVSSYSA-N
MW273.18 g/mol
LogP1.32
Rot. Bonds2

About (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine

(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 118690498) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID118690498
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(c2cc(Br)nn2C)C1
InChIInChI=1S/C10H17BrN4/c1-13(2)8-4-5-15(7-8)10-6-9(11)12-14(10)3/h6,8H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKeyWXHVOAMKGZWOST-MRVPVSSYSA-N
XLogP1.32
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine (CID 118690498) is (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CCN(c2cc(Br)nn2C)C1.
What is the InChIKey of (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WXHVOAMKGZWOST-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-13(2)8-4-5-15(7-8)10-6-9(11)12-14(10)3/h6,8H,4-5,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 273.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 118690498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).