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

C10H17BrN4 — CID 118690606

IUPAC1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(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
InChIKeyWXHVOAMKGZWOST-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.32
Rot. Bonds2

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

1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 118690606) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID118690606
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(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
InChIKeyWXHVOAMKGZWOST-UHFFFAOYSA-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 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine (CID 118690606) is 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2cc(Br)nn2C)C1.
What is the InChIKey of 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WXHVOAMKGZWOST-UHFFFAOYSA-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.
What are the key properties of 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine?
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 1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 118690606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).