N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H30N4O2 — CID 71680721

IUPACN-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12
InChIInChI=1S/C24H30N4O2/c1-2-3-10-15-27-17-20(23(29)25-19-13-8-5-9-14-19)24(30)28-22(27)16-21(26-28)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,25,29)
InChIKeyJZOCGPUEPAWZNC-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.42
Rot. Bonds7

About N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71680721) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71680721
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12
InChIInChI=1S/C24H30N4O2/c1-2-3-10-15-27-17-20(23(29)25-19-13-8-5-9-14-19)24(30)28-22(27)16-21(26-28)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,25,29)
InChIKeyJZOCGPUEPAWZNC-UHFFFAOYSA-N
XLogP4.42
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.42
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-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71680721) is N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12.
What is the InChIKey of N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JZOCGPUEPAWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-2-3-10-15-27-17-20(23(29)25-19-13-8-5-9-14-19)24(30)28-22(27)16-21(26-28)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,25,29).
What are the key properties of N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71680721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).