3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine

C11H19ClFN3 — CID 112565215

IUPAC3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCCc1nn(CC)c(CC(C)(F)CN)c1Cl
InChIInChI=1S/C11H19ClFN3/c1-4-8-10(12)9(16(5-2)15-8)6-11(3,13)7-14/h4-7,14H2,1-3H3
InChIKeyAIFFZTMSNMJFGJ-UHFFFAOYSA-N
MW247.74 g/mol
LogP2.35
Rot. Bonds5

About 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine

3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 112565215) has the molecular formula C11H19ClFN3 and a molecular weight of 247.74 g/mol. Its IUPAC name is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine
PubChem CID112565215
Molecular FormulaC11H19ClFN3
Molecular Weight247.74 g/mol
Exact Mass247.13
IUPAC Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCCc1nn(CC)c(CC(C)(F)CN)c1Cl
InChIInChI=1S/C11H19ClFN3/c1-4-8-10(12)9(16(5-2)15-8)6-11(3,13)7-14/h4-7,14H2,1-3H3
InChIKeyAIFFZTMSNMJFGJ-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine (CID 112565215) is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine is CCc1nn(CC)c(CC(C)(F)CN)c1Cl.
What is the InChIKey of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is AIFFZTMSNMJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClFN3/c1-4-8-10(12)9(16(5-2)15-8)6-11(3,13)7-14/h4-7,14H2,1-3H3.
What are the key properties of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 247.74 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 112565215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).