2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H19ClN6 — CID 3229905

IUPAC2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCn2ccnc2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C19H19ClN6/c1-14-11-18(22-7-2-9-25-10-8-21-13-25)26-19(23-14)12-17(24-26)15-3-5-16(20)6-4-15/h3-6,8,10-13,22H,2,7,9H2,1H3
InChIKeyABPZFWGCBDFITF-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3229905) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3229905
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCn2ccnc2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C19H19ClN6/c1-14-11-18(22-7-2-9-25-10-8-21-13-25)26-19(23-14)12-17(24-26)15-3-5-16(20)6-4-15/h3-6,8,10-13,22H,2,7,9H2,1H3
InChIKeyABPZFWGCBDFITF-UHFFFAOYSA-N
XLogP4.06
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.06
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 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3229905) is 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCn2ccnc2)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ABPZFWGCBDFITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6/c1-14-11-18(22-7-2-9-25-10-8-21-13-25)26-19(23-14)12-17(24-26)15-3-5-16(20)6-4-15/h3-6,8,10-13,22H,2,7,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.86 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3229905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).