1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine

C16H26FN3 — CID 123312924

IUPAC1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine
SMILESCc1cc(C2C3CC(F)(CN(C)C)CC32)n(C(C)C)n1
InChIInChI=1S/C16H26FN3/c1-10(2)20-14(6-11(3)18-20)15-12-7-16(17,8-13(12)15)9-19(4)5/h6,10,12-13,15H,7-9H2,1-5H3
InChIKeyUPGSCQIRLFOIQF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine

1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine (PubChem CID 123312924) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine
PubChem CID123312924
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine
SMILESCc1cc(C2C3CC(F)(CN(C)C)CC32)n(C(C)C)n1
InChIInChI=1S/C16H26FN3/c1-10(2)20-14(6-11(3)18-20)15-12-7-16(17,8-13(12)15)9-19(4)5/h6,10,12-13,15H,7-9H2,1-5H3
InChIKeyUPGSCQIRLFOIQF-UHFFFAOYSA-N
XLogP3.17
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine (CID 123312924) is 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine is Cc1cc(C2C3CC(F)(CN(C)C)CC32)n(C(C)C)n1.
What is the InChIKey of 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine?
The InChIKey is UPGSCQIRLFOIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-10(2)20-14(6-11(3)18-20)15-12-7-16(17,8-13(12)15)9-19(4)5/h6,10,12-13,15H,7-9H2,1-5H3.
What are the key properties of 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine?
1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 123312924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).