6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine

C15H18FN3 — CID 163930233

IUPAC6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2cc(C3=CCC(C)(F)CC3C)cnc12
InChIInChI=1S/C15H18FN3/c1-10-6-15(3,16)5-4-13(10)12-8-17-14-11(2)7-18-19(14)9-12/h4,7-10H,5-6H2,1-3H3
InChIKeyRIAWIDGXIAYOPV-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.58
Rot. Bonds1

About 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine

6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 163930233) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID163930233
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2cc(C3=CCC(C)(F)CC3C)cnc12
InChIInChI=1S/C15H18FN3/c1-10-6-15(3,16)5-4-13(10)12-8-17-14-11(2)7-18-19(14)9-12/h4,7-10H,5-6H2,1-3H3
InChIKeyRIAWIDGXIAYOPV-UHFFFAOYSA-N
XLogP3.58
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine (CID 163930233) is 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2cc(C3=CCC(C)(F)CC3C)cnc12.
What is the InChIKey of 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RIAWIDGXIAYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-6-15(3,16)5-4-13(10)12-8-17-14-11(2)7-18-19(14)9-12/h4,7-10H,5-6H2,1-3H3.
What are the key properties of 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 259.33 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163930233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).