N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide

C20H30N4O — CID 68750457

IUPACN-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
SMILESCc1cnc2c(C(C)(C)C)c(NC(=O)CCC3CCCCC3)nn2c1
InChIInChI=1S/C20H30N4O/c1-14-12-21-19-17(20(2,3)4)18(23-24(19)13-14)22-16(25)11-10-15-8-6-5-7-9-15/h12-13,15H,5-11H2,1-4H3,(H,22,23,25)
InChIKeyXVNAJURTJNXFHZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.63
Rot. Bonds4

About N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide

N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide (PubChem CID 68750457) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
PubChem CID68750457
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
SMILESCc1cnc2c(C(C)(C)C)c(NC(=O)CCC3CCCCC3)nn2c1
InChIInChI=1S/C20H30N4O/c1-14-12-21-19-17(20(2,3)4)18(23-24(19)13-14)22-16(25)11-10-15-8-6-5-7-9-15/h12-13,15H,5-11H2,1-4H3,(H,22,23,25)
InChIKeyXVNAJURTJNXFHZ-UHFFFAOYSA-N
XLogP4.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide 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 N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide (CID 68750457) is N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide is Cc1cnc2c(C(C)(C)C)c(NC(=O)CCC3CCCCC3)nn2c1.
What is the InChIKey of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
The InChIKey is XVNAJURTJNXFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14-12-21-19-17(20(2,3)4)18(23-24(19)13-14)22-16(25)11-10-15-8-6-5-7-9-15/h12-13,15H,5-11H2,1-4H3,(H,22,23,25).
What are the key properties of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide has a molecular weight of 342.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 68750457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).