7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26N4O3 — CID 15958149

IUPAC7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NO)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C26H26N4O3/c31-26(29-32)23-16-28-30-24(20-9-5-2-6-10-20)22(15-27-25(23)30)19-11-13-21(14-12-19)33-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20,32H,2,5-6,9-10,17H2,(H,29,31)
InChIKeyVOISSJDIBLPWCP-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.14
Rot. Bonds6

About 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15958149) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15958149
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NO)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C26H26N4O3/c31-26(29-32)23-16-28-30-24(20-9-5-2-6-10-20)22(15-27-25(23)30)19-11-13-21(14-12-19)33-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20,32H,2,5-6,9-10,17H2,(H,29,31)
InChIKeyVOISSJDIBLPWCP-UHFFFAOYSA-N
XLogP5.14
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15958149) is 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NO)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VOISSJDIBLPWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-26(29-32)23-16-28-30-24(20-9-5-2-6-10-20)22(15-27-25(23)30)19-11-13-21(14-12-19)33-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20,32H,2,5-6,9-10,17H2,(H,29,31).
What are the key properties of 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15958149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).