3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine

C10H17BrFN3 — CID 112562689

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine
SMILESCCc1nn(CC)c(CC(F)CN)c1Br
InChIInChI=1S/C10H17BrFN3/c1-3-8-10(11)9(5-7(12)6-13)15(4-2)14-8/h7H,3-6,13H2,1-2H3
InChIKeyDQNRPPLNDZBYIV-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.07
Rot. Bonds5

About 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine

3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine (PubChem CID 112562689) has the molecular formula C10H17BrFN3 and a molecular weight of 278.17 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine
PubChem CID112562689
Molecular FormulaC10H17BrFN3
Molecular Weight278.17 g/mol
Exact Mass277.06
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine
SMILESCCc1nn(CC)c(CC(F)CN)c1Br
InChIInChI=1S/C10H17BrFN3/c1-3-8-10(11)9(5-7(12)6-13)15(4-2)14-8/h7H,3-6,13H2,1-2H3
InChIKeyDQNRPPLNDZBYIV-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine (CID 112562689) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine is CCc1nn(CC)c(CC(F)CN)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine?
The InChIKey is DQNRPPLNDZBYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrFN3/c1-3-8-10(11)9(5-7(12)6-13)15(4-2)14-8/h7H,3-6,13H2,1-2H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine has a molecular weight of 278.17 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112562689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).