4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol

C23H37N3O2 — CID 142613045

IUPAC4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
SMILESCCCCCO.Cc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1
InChIInChI=1S/C18H25N3O.C5H12O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15;1-2-3-4-5-6/h11-12,15H,3-10H2,1-2H3;6H,2-5H2,1H3
InChIKeyPLNUNQZXLADMTJ-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.45
Rot. Bonds8

About 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol

4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol (PubChem CID 142613045) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol.

Molecular Properties

Compound Name4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
PubChem CID142613045
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
SMILESCCCCCO.Cc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1
InChIInChI=1S/C18H25N3O.C5H12O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15;1-2-3-4-5-6/h11-12,15H,3-10H2,1-2H3;6H,2-5H2,1H3
InChIKeyPLNUNQZXLADMTJ-UHFFFAOYSA-N
XLogP5.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.45
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 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?
The IUPAC name of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol (CID 142613045) is 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol.
What is the SMILES notation for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?
The canonical SMILES for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol is CCCCCO.Cc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1.
What is the InChIKey of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?
The InChIKey is PLNUNQZXLADMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C5H12O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15;1-2-3-4-5-6/h11-12,15H,3-10H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?
4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol has a molecular weight of 387.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol is sourced from PubChem (CID 142613045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).