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

C20H30N4O2 — CID 71683080

IUPAC2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12
InChIInChI=1S/C20H30N4O2/c1-4-5-6-11-23-13-17(20(26)24-18(23)12-15(3)22-24)19(25)21-16-9-7-14(2)8-10-16/h12-14,16H,4-11H2,1-3H3,(H,21,25)
InChIKeyRIKFEZIZTBXQAZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.30
Rot. Bonds6

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

2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71683080) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71683080
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12
InChIInChI=1S/C20H30N4O2/c1-4-5-6-11-23-13-17(20(26)24-18(23)12-15(3)22-24)19(25)21-16-9-7-14(2)8-10-16/h12-14,16H,4-11H2,1-3H3,(H,21,25)
InChIKeyRIKFEZIZTBXQAZ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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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Related Compounds

N-(1-adamantyl)-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680717
2-tert-butyl-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680718
2-tert-butyl-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680719
N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71682928
N-cycloheptyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71683077
N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71683078
N-cyclohexyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71683081
N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71683082
4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 169018027
2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018039
2-[5-(2-cyclohexylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018048
2-[3-(2-cyclohexylethylamino)-5-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 178302181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71683080) is 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RIKFEZIZTBXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-5-6-11-23-13-17(20(26)24-18(23)12-15(3)22-24)19(25)21-16-9-7-14(2)8-10-16/h12-14,16H,4-11H2,1-3H3,(H,21,25).
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71683080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).