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

C20H30N4O2 — CID 71683077

IUPACN-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12
InChIInChI=1S/C20H30N4O2/c1-3-4-9-12-23-14-17(20(26)24-18(23)13-15(2)22-24)19(25)21-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,21,25)
InChIKeyDDHXSHRUWMYUJU-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.45
Rot. Bonds6

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

N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71683077) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71683077
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12
InChIInChI=1S/C20H30N4O2/c1-3-4-9-12-23-14-17(20(26)24-18(23)13-15(2)22-24)19(25)21-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,21,25)
InChIKeyDDHXSHRUWMYUJU-UHFFFAOYSA-N
XLogP3.45
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.45
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-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71683077) is N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12.
What is the InChIKey of N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is DDHXSHRUWMYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-4-9-12-23-14-17(20(26)24-18(23)13-15(2)22-24)19(25)21-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,21,25).
What are the key properties of N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71683077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).