5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine

C10H17FN4 — CID 141363101

IUPAC5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine
SMILESCn1nccc1N1CCC(N)C(F)CC1
InChIInChI=1S/C10H17FN4/c1-14-10(2-5-13-14)15-6-3-8(11)9(12)4-7-15/h2,5,8-9H,3-4,6-7,12H2,1H3
InChIKeyNOCRMMTZYWFONJ-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.69
Rot. Bonds1

About 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine

5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine (PubChem CID 141363101) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine
PubChem CID141363101
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine
SMILESCn1nccc1N1CCC(N)C(F)CC1
InChIInChI=1S/C10H17FN4/c1-14-10(2-5-13-14)15-6-3-8(11)9(12)4-7-15/h2,5,8-9H,3-4,6-7,12H2,1H3
InChIKeyNOCRMMTZYWFONJ-UHFFFAOYSA-N
XLogP0.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine?
The IUPAC name of 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine (CID 141363101) is 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine.
What is the SMILES notation for 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine?
The canonical SMILES for 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine is Cn1nccc1N1CCC(N)C(F)CC1.
What is the InChIKey of 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine?
The InChIKey is NOCRMMTZYWFONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-14-10(2-5-13-14)15-6-3-8(11)9(12)4-7-15/h2,5,8-9H,3-4,6-7,12H2,1H3.
What are the key properties of 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine?
5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine has a molecular weight of 212.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylpyrazol-3-yl)azepan-4-amine is sourced from PubChem (CID 141363101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).