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

C10H17BrN4 — CID 81467779

IUPAC4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine
SMILESCc1nn(C2CC(C)N(C)C2)c(N)c1Br
InChIInChI=1S/C10H17BrN4/c1-6-4-8(5-14(6)3)15-10(12)9(11)7(2)13-15/h6,8H,4-5,12H2,1-3H3
InChIKeyBPOXUVZINBZWJV-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.80
Rot. Bonds1

About 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine

4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine (PubChem CID 81467779) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine
PubChem CID81467779
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine
SMILESCc1nn(C2CC(C)N(C)C2)c(N)c1Br
InChIInChI=1S/C10H17BrN4/c1-6-4-8(5-14(6)3)15-10(12)9(11)7(2)13-15/h6,8H,4-5,12H2,1-3H3
InChIKeyBPOXUVZINBZWJV-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine (CID 81467779) is 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine is Cc1nn(C2CC(C)N(C)C2)c(N)c1Br.
What is the InChIKey of 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine?
The InChIKey is BPOXUVZINBZWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-6-4-8(5-14(6)3)15-10(12)9(11)7(2)13-15/h6,8H,4-5,12H2,1-3H3.
What are the key properties of 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine?
4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine has a molecular weight of 273.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 81467779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).