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

C10H16BrF2N3 — CID 103516813

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine
SMILESCCc1nn(CC)c(CC(N)C(F)F)c1Br
InChIInChI=1S/C10H16BrF2N3/c1-3-7-9(11)8(16(4-2)15-7)5-6(14)10(12)13/h6,10H,3-5,14H2,1-2H3
InChIKeyDARXWJLGEVIXQE-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.36
Rot. Bonds5

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

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine (PubChem CID 103516813) has the molecular formula C10H16BrF2N3 and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine
PubChem CID103516813
Molecular FormulaC10H16BrF2N3
Molecular Weight296.16 g/mol
Exact Mass295.05
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine
SMILESCCc1nn(CC)c(CC(N)C(F)F)c1Br
InChIInChI=1S/C10H16BrF2N3/c1-3-7-9(11)8(16(4-2)15-7)5-6(14)10(12)13/h6,10H,3-5,14H2,1-2H3
InChIKeyDARXWJLGEVIXQE-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.36
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)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine (CID 103516813) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine is CCc1nn(CC)c(CC(N)C(F)F)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine?
The InChIKey is DARXWJLGEVIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF2N3/c1-3-7-9(11)8(16(4-2)15-7)5-6(14)10(12)13/h6,10H,3-5,14H2,1-2H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-amine has a molecular weight of 296.16 g/mol, XLogP of 2.36, 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)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103516813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).