(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine

C12H21BrN4 — CID 115301850

IUPAC(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1nn(CC)c(CN2CC[C@@H](N)C2)c1Br
InChIInChI=1S/C12H21BrN4/c1-3-10-12(13)11(17(4-2)15-10)8-16-6-5-9(14)7-16/h9H,3-8,14H2,1-2H3/t9-/m1/s1
InChIKeyXGPDYMWHRLGOMR-SECBINFHSA-N
MW301.23 g/mol
LogP1.76
Rot. Bonds4

About (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 115301850) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID115301850
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1nn(CC)c(CN2CC[C@@H](N)C2)c1Br
InChIInChI=1S/C12H21BrN4/c1-3-10-12(13)11(17(4-2)15-10)8-16-6-5-9(14)7-16/h9H,3-8,14H2,1-2H3/t9-/m1/s1
InChIKeyXGPDYMWHRLGOMR-SECBINFHSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine (CID 115301850) is (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine is CCc1nn(CC)c(CN2CC[C@@H](N)C2)c1Br.
What is the InChIKey of (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XGPDYMWHRLGOMR-SECBINFHSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-3-10-12(13)11(17(4-2)15-10)8-16-6-5-9(14)7-16/h9H,3-8,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 301.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115301850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).