5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine

C13H17N3 — CID 136607764

IUPAC5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C2CCCCC2)Nc2ccnn21
InChIInChI=1S/C13H17N3/c1-10-9-12(11-5-3-2-4-6-11)15-13-7-8-14-16(10)13/h7-9,11,15H,1-6H2
InChIKeyXMBDVBFXXNMNBV-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.24
Rot. Bonds1

About 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine

5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 136607764) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID136607764
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C2CCCCC2)Nc2ccnn21
InChIInChI=1S/C13H17N3/c1-10-9-12(11-5-3-2-4-6-11)15-13-7-8-14-16(10)13/h7-9,11,15H,1-6H2
InChIKeyXMBDVBFXXNMNBV-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine (CID 136607764) is 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine is C=C1C=C(C2CCCCC2)Nc2ccnn21.
What is the InChIKey of 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is XMBDVBFXXNMNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-9-12(11-5-3-2-4-6-11)15-13-7-8-14-16(10)13/h7-9,11,15H,1-6H2.
What are the key properties of 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 215.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136607764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).