5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane

C14H21ClN4 — CID 163234486

IUPAC5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.Cc1nn(C2CCCCC2)c2cnc(Cl)nc12
InChIInChI=1S/C12H15ClN4.C2H6/c1-8-11-10(7-14-12(13)15-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyGASJOTXDVBDBOS-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.32
Rot. Bonds1

About 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane

5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane (PubChem CID 163234486) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
PubChem CID163234486
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.Cc1nn(C2CCCCC2)c2cnc(Cl)nc12
InChIInChI=1S/C12H15ClN4.C2H6/c1-8-11-10(7-14-12(13)15-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyGASJOTXDVBDBOS-UHFFFAOYSA-N
XLogP4.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
The IUPAC name of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane (CID 163234486) is 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane.
What is the SMILES notation for 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
The canonical SMILES for 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane is CC.Cc1nn(C2CCCCC2)c2cnc(Cl)nc12.
What is the InChIKey of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
The InChIKey is GASJOTXDVBDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4.C2H6/c1-8-11-10(7-14-12(13)15-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3.
What are the key properties of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane has a molecular weight of 280.80 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane is sourced from PubChem (CID 163234486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).