N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide

C20H25N5O3 — CID 118737301

IUPACN-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2c(C)nn3c(NCCNC(C)=O)cc(C)nc23)cc1OC
InChIInChI=1S/C20H25N5O3/c1-12-10-18(22-9-8-21-14(3)26)25-20(23-12)19(13(2)24-25)15-6-7-16(27-4)17(11-15)28-5/h6-7,10-11,22H,8-9H2,1-5H3,(H,21,26)
InChIKeyFZPVOGSJCDLHJM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.58
Rot. Bonds7

About N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide

N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide (PubChem CID 118737301) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide
PubChem CID118737301
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2c(C)nn3c(NCCNC(C)=O)cc(C)nc23)cc1OC
InChIInChI=1S/C20H25N5O3/c1-12-10-18(22-9-8-21-14(3)26)25-20(23-12)19(13(2)24-25)15-6-7-16(27-4)17(11-15)28-5/h6-7,10-11,22H,8-9H2,1-5H3,(H,21,26)
InChIKeyFZPVOGSJCDLHJM-UHFFFAOYSA-N
XLogP2.58
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide (CID 118737301) is N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide is COc1ccc(-c2c(C)nn3c(NCCNC(C)=O)cc(C)nc23)cc1OC.
What is the InChIKey of N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide?
The InChIKey is FZPVOGSJCDLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-10-18(22-9-8-21-14(3)26)25-20(23-12)19(13(2)24-25)15-6-7-16(27-4)17(11-15)28-5/h6-7,10-11,22H,8-9H2,1-5H3,(H,21,26).
What are the key properties of N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide?
N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]acetamide is sourced from PubChem (CID 118737301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).