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

C20H20N6O — CID 650076

IUPACN-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)NCCCn3ccnc3)nn12
InChIInChI=1S/C20H20N6O/c1-15-12-17(16-6-3-2-4-7-16)23-19-13-18(24-26(15)19)20(27)22-8-5-10-25-11-9-21-14-25/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,22,27)
InChIKeyGYDGKELVIYSSTQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.72
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 650076) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID650076
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)NCCCn3ccnc3)nn12
InChIInChI=1S/C20H20N6O/c1-15-12-17(16-6-3-2-4-7-16)23-19-13-18(24-26(15)19)20(27)22-8-5-10-25-11-9-21-14-25/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,22,27)
InChIKeyGYDGKELVIYSSTQ-UHFFFAOYSA-N
XLogP2.72
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.72
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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Jqez5
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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 650076) is N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(-c2ccccc2)nc2cc(C(=O)NCCCn3ccnc3)nn12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GYDGKELVIYSSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-15-12-17(16-6-3-2-4-7-16)23-19-13-18(24-26(15)19)20(27)22-8-5-10-25-11-9-21-14-25/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,22,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.72, 6 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)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 650076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).