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

C19H20N6 — CID 665425

IUPACN-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H20N6/c1-15-12-18(21-8-5-10-24-11-9-20-14-24)25-19(23-15)17(13-22-25)16-6-3-2-4-7-16/h2-4,6-7,9,11-14,21H,5,8,10H2,1H3
InChIKeyQXQOOPOXGXRRQD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.40
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 665425) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID665425
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H20N6/c1-15-12-18(21-8-5-10-24-11-9-20-14-24)25-19(23-15)17(13-22-25)16-6-3-2-4-7-16/h2-4,6-7,9,11-14,21H,5,8,10H2,1H3
InChIKeyQXQOOPOXGXRRQD-UHFFFAOYSA-N
XLogP3.40
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.40
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)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 665425) is N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QXQOOPOXGXRRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-15-12-18(21-8-5-10-24-11-9-20-14-24)25-19(23-15)17(13-22-25)16-6-3-2-4-7-16/h2-4,6-7,9,11-14,21H,5,8,10H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-imidazol-1-ylpropyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.41 g/mol, XLogP of 3.40, 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)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 665425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).