3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

C20H26N4O3 — CID 3229975

IUPAC3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCO
InChIInChI=1S/C20H26N4O3/c1-5-17-13(2)22-19-12-18(23-24(19)20(17)21-7-6-8-25)14-9-15(26-3)11-16(10-14)27-4/h9-12,21,25H,5-8H2,1-4H3
InChIKeyHQUXMWRWDYEBKI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.08
Rot. Bonds8

About 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (PubChem CID 3229975) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
PubChem CID3229975
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCO
InChIInChI=1S/C20H26N4O3/c1-5-17-13(2)22-19-12-18(23-24(19)20(17)21-7-6-8-25)14-9-15(26-3)11-16(10-14)27-4/h9-12,21,25H,5-8H2,1-4H3
InChIKeyHQUXMWRWDYEBKI-UHFFFAOYSA-N
XLogP3.08
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine
CID 1441364
N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 3422642
4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1441348
diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
CID 7440560
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 5307346
diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
CID 7441022
N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 1441328
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20862904
2-[[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 6487768
N',N'-diethyl-N-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 3230082

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (CID 3229975) is 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCO.
What is the InChIKey of 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The InChIKey is HQUXMWRWDYEBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-17-13(2)22-19-12-18(23-24(19)20(17)21-7-6-8-25)14-9-15(26-3)11-16(10-14)27-4/h9-12,21,25H,5-8H2,1-4H3.
What are the key properties of 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol has a molecular weight of 370.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 3229975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).