N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C20H28ClN5O2 — CID 71779752

About N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 71779752) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
• PubChem CID: 71779752
• Molecular Formula: C20H28ClN5O2
• Molecular Weight: 405.93 g/mol
• Exact Mass: 405.19
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
• SMILES: COc1ccc(-c2cc3nc(C)cc(NCCCN(C)C)n3n2)cc1OC.Cl
• InChI: InChI=1S/C20H27N5O2.ClH/c1-14-11-19(21-9-6-10-24(2)3)25-20(22-14)13-16(23-25)15-7-8-17(26-4)18(12-15)27-5;/h7-8,11-13,21H,6,9-10H2,1-5H3;1H
• InChIKey: BMMNFBPTTACJMK-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 63.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.93
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 71779752) is N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride is COc1ccc(-c2cc3nc(C)cc(NCCCN(C)C)n3n2)cc1OC.Cl.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?

The InChIKey is BMMNFBPTTACJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.ClH/c1-14-11-19(21-9-6-10-24(2)3)25-20(22-14)13-16(23-25)15-7-8-17(26-4)18(12-15)27-5;/h7-8,11-13,21H,6,9-10H2,1-5H3;1H.

What are the key properties of N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?

N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 71779752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).