1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine

C11H20FN5 — CID 89456937

IUPAC1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine
SMILESCn1ncc(N)c1N1CCC(N)CC(C)(F)C1
InChIInChI=1S/C11H20FN5/c1-11(12)5-8(13)3-4-17(7-11)10-9(14)6-15-16(10)2/h6,8H,3-5,7,13-14H2,1-2H3
InChIKeyOBEGSLWSJHJOMM-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.66
Rot. Bonds1

About 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine

1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine (PubChem CID 89456937) has the molecular formula C11H20FN5 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine
PubChem CID89456937
Molecular FormulaC11H20FN5
Molecular Weight241.31 g/mol
Exact Mass241.17
IUPAC Name1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine
SMILESCn1ncc(N)c1N1CCC(N)CC(C)(F)C1
InChIInChI=1S/C11H20FN5/c1-11(12)5-8(13)3-4-17(7-11)10-9(14)6-15-16(10)2/h6,8H,3-5,7,13-14H2,1-2H3
InChIKeyOBEGSLWSJHJOMM-UHFFFAOYSA-N
XLogP0.66
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine?
The IUPAC name of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine (CID 89456937) is 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine.
What is the SMILES notation for 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine?
The canonical SMILES for 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine is Cn1ncc(N)c1N1CCC(N)CC(C)(F)C1.
What is the InChIKey of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine?
The InChIKey is OBEGSLWSJHJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN5/c1-11(12)5-8(13)3-4-17(7-11)10-9(14)6-15-16(10)2/h6,8H,3-5,7,13-14H2,1-2H3.
What are the key properties of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine?
1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine has a molecular weight of 241.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-6-methylazepan-4-amine is sourced from PubChem (CID 89456937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).