2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H34N4O2 — CID 71680718

IUPAC2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C22H34N4O2/c1-5-6-10-13-25-15-17(20(27)23-16-11-8-7-9-12-16)21(28)26-19(25)14-18(24-26)22(2,3)4/h14-16H,5-13H2,1-4H3,(H,23,27)
InChIKeyDEHLXCFASOTFAD-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.05
Rot. Bonds6

About 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71680718) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71680718
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C22H34N4O2/c1-5-6-10-13-25-15-17(20(27)23-16-11-8-7-9-12-16)21(28)26-19(25)14-18(24-26)22(2,3)4/h14-16H,5-13H2,1-4H3,(H,23,27)
InChIKeyDEHLXCFASOTFAD-UHFFFAOYSA-N
XLogP4.05
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71680718) is 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is DEHLXCFASOTFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-5-6-10-13-25-15-17(20(27)23-16-11-8-7-9-12-16)21(28)26-19(25)14-18(24-26)22(2,3)4/h14-16H,5-13H2,1-4H3,(H,23,27).
What are the key properties of 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71680718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).