7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C26H28N4O2 — CID 46079767

IUPAC7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccccc2OC)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C26H28N4O2/c1-4-5-11-16-27-26(31)21-17-22(20-14-9-10-15-23(20)32-3)30-25(28-21)24(18(2)29-30)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,27,31)
InChIKeyUTNBBMOUMYLXMU-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.30
Rot. Bonds8

About 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46079767) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46079767
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccccc2OC)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C26H28N4O2/c1-4-5-11-16-27-26(31)21-17-22(20-14-9-10-15-23(20)32-3)30-25(28-21)24(18(2)29-30)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,27,31)
InChIKeyUTNBBMOUMYLXMU-UHFFFAOYSA-N
XLogP5.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.30
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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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 46079767) is 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCCCCNC(=O)c1cc(-c2ccccc2OC)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is UTNBBMOUMYLXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-4-5-11-16-27-26(31)21-17-22(20-14-9-10-15-23(20)32-3)30-25(28-21)24(18(2)29-30)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,27,31).
What are the key properties of 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46079767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).