4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole

C10H15BrFN3 — CID 112564236

IUPAC4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC2(F)CCNC2)c1Br
InChIInChI=1S/C10H15BrFN3/c1-7-9(11)8(15(2)14-7)5-10(12)3-4-13-6-10/h13H,3-6H2,1-2H3
InChIKeyPULHIJWARWEGRY-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.74
Rot. Bonds2

About 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole

4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole (PubChem CID 112564236) has the molecular formula C10H15BrFN3 and a molecular weight of 276.15 g/mol. Its IUPAC name is 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole
PubChem CID112564236
Molecular FormulaC10H15BrFN3
Molecular Weight276.15 g/mol
Exact Mass275.04
IUPAC Name4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC2(F)CCNC2)c1Br
InChIInChI=1S/C10H15BrFN3/c1-7-9(11)8(15(2)14-7)5-10(12)3-4-13-6-10/h13H,3-6H2,1-2H3
InChIKeyPULHIJWARWEGRY-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole (CID 112564236) is 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole is Cc1nn(C)c(CC2(F)CCNC2)c1Br.
What is the InChIKey of 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole?
The InChIKey is PULHIJWARWEGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFN3/c1-7-9(11)8(15(2)14-7)5-10(12)3-4-13-6-10/h13H,3-6H2,1-2H3.
What are the key properties of 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole?
4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole has a molecular weight of 276.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 112564236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).