N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H32N4O2 — CID 71683082

IUPACN-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12
InChIInChI=1S/C21H32N4O2/c1-3-5-10-13-24-15-18(20(26)22-17-11-8-6-7-9-12-17)21(27)25-19(24)14-16(4-2)23-25/h14-15,17H,3-13H2,1-2H3,(H,22,26)
InChIKeyFDWXWGMBMDDQLS-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.70
Rot. Bonds7

About N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71683082) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71683082
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12
InChIInChI=1S/C21H32N4O2/c1-3-5-10-13-24-15-18(20(26)22-17-11-8-6-7-9-12-17)21(27)25-19(24)14-16(4-2)23-25/h14-15,17H,3-13H2,1-2H3,(H,22,26)
InChIKeyFDWXWGMBMDDQLS-UHFFFAOYSA-N
XLogP3.70
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.70
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 N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71683082) is N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12.
What is the InChIKey of N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FDWXWGMBMDDQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-5-10-13-24-15-18(20(26)22-17-11-8-6-7-9-12-17)21(27)25-19(24)14-16(4-2)23-25/h14-15,17H,3-13H2,1-2H3,(H,22,26).
What are the key properties of N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71683082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).