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

C20H21ClN6 — CID 3804160

IUPAC3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H21ClN6/c1-14-12-18(23-8-3-10-26-11-9-22-13-26)27-20(24-14)19(15(2)25-27)16-4-6-17(21)7-5-16/h4-7,9,11-13,23H,3,8,10H2,1-2H3
InChIKeyWOTGUOGOEKRSLA-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.37
Rot. Bonds6

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

3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3804160) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3804160
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC Name3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H21ClN6/c1-14-12-18(23-8-3-10-26-11-9-22-13-26)27-20(24-14)19(15(2)25-27)16-4-6-17(21)7-5-16/h4-7,9,11-13,23H,3,8,10H2,1-2H3
InChIKeyWOTGUOGOEKRSLA-UHFFFAOYSA-N
XLogP4.37
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.37
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 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3804160) is 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WOTGUOGOEKRSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6/c1-14-12-18(23-8-3-10-26-11-9-22-13-26)27-20(24-14)19(15(2)25-27)16-4-6-17(21)7-5-16/h4-7,9,11-13,23H,3,8,10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 380.88 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3804160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).