1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine

C20H22N4 — CID 54236177

IUPAC1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1nn(C2CCCCC2)c2nc(C=Cc3ccccc3)ncc12
InChIInChI=1S/C20H22N4/c1-15-18-14-21-19(13-12-16-8-4-2-5-9-16)22-20(18)24(23-15)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3
InChIKeyQMSPLWPTJREFEY-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.81
Rot. Bonds3

About 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine

1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 54236177) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine
PubChem CID54236177
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1nn(C2CCCCC2)c2nc(C=Cc3ccccc3)ncc12
InChIInChI=1S/C20H22N4/c1-15-18-14-21-19(13-12-16-8-4-2-5-9-16)22-20(18)24(23-15)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3
InChIKeyQMSPLWPTJREFEY-UHFFFAOYSA-N
XLogP4.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine (CID 54236177) is 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine is Cc1nn(C2CCCCC2)c2nc(C=Cc3ccccc3)ncc12.
What is the InChIKey of 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is QMSPLWPTJREFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-18-14-21-19(13-12-16-8-4-2-5-9-16)22-20(18)24(23-15)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine?
1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 318.42 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 54236177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).