N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C22H26N6 — CID 4888039

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H26N6/c1-3-8-19-15-20(24-11-7-13-27-14-12-23-16-27)28-22(25-19)21(17(2)26-28)18-9-5-4-6-10-18/h4-6,9-10,12,14-16,24H,3,7-8,11,13H2,1-2H3
InChIKeyDGRPYNIHNJXTIL-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.36
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4888039) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4888039
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H26N6/c1-3-8-19-15-20(24-11-7-13-27-14-12-23-16-27)28-22(25-19)21(17(2)26-28)18-9-5-4-6-10-18/h4-6,9-10,12,14-16,24H,3,7-8,11,13H2,1-2H3
InChIKeyDGRPYNIHNJXTIL-UHFFFAOYSA-N
XLogP4.36
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4888039) is N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DGRPYNIHNJXTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-3-8-19-15-20(24-11-7-13-27-14-12-23-16-27)28-22(25-19)21(17(2)26-28)18-9-5-4-6-10-18/h4-6,9-10,12,14-16,24H,3,7-8,11,13H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4888039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).