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

C14H23BrFN3 — CID 112567519

IUPAC3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine
SMILESCCc1nn(CC)c(CC2(F)CCCC(N)C2)c1Br
InChIInChI=1S/C14H23BrFN3/c1-3-11-13(15)12(19(4-2)18-11)9-14(16)7-5-6-10(17)8-14/h10H,3-9,17H2,1-2H3
InChIKeyHTFOTENTLOCIAI-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.38
Rot. Bonds4

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

3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 112567519) has the molecular formula C14H23BrFN3 and a molecular weight of 332.26 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID112567519
Molecular FormulaC14H23BrFN3
Molecular Weight332.26 g/mol
Exact Mass331.11
IUPAC Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine
SMILESCCc1nn(CC)c(CC2(F)CCCC(N)C2)c1Br
InChIInChI=1S/C14H23BrFN3/c1-3-11-13(15)12(19(4-2)18-11)9-14(16)7-5-6-10(17)8-14/h10H,3-9,17H2,1-2H3
InChIKeyHTFOTENTLOCIAI-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.38
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)methyl]-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine (CID 112567519) is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine is CCc1nn(CC)c(CC2(F)CCCC(N)C2)c1Br.
What is the InChIKey of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine?
The InChIKey is HTFOTENTLOCIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrFN3/c1-3-11-13(15)12(19(4-2)18-11)9-14(16)7-5-6-10(17)8-14/h10H,3-9,17H2,1-2H3.
What are the key properties of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine?
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 332.26 g/mol, XLogP of 3.38, 4 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)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).