3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide

C14H23N5O2 — CID 91960218

IUPAC3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)CCn1ncc2c1c(C)nn2C
InChIInChI=1S/C14H23N5O2/c1-4-21-9-5-7-15-13(20)6-8-19-14-11(2)17-18(3)12(14)10-16-19/h10H,4-9H2,1-3H3,(H,15,20)
InChIKeyRVBOYROIJVHZEL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.01
Rot. Bonds8

About 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide (PubChem CID 91960218) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
PubChem CID91960218
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)CCn1ncc2c1c(C)nn2C
InChIInChI=1S/C14H23N5O2/c1-4-21-9-5-7-15-13(20)6-8-19-14-11(2)17-18(3)12(14)10-16-19/h10H,4-9H2,1-3H3,(H,15,20)
InChIKeyRVBOYROIJVHZEL-UHFFFAOYSA-N
XLogP1.01
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.01
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-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
The IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide (CID 91960218) is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide is CCOCCCNC(=O)CCn1ncc2c1c(C)nn2C.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
The InChIKey is RVBOYROIJVHZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-21-9-5-7-15-13(20)6-8-19-14-11(2)17-18(3)12(14)10-16-19/h10H,4-9H2,1-3H3,(H,15,20).
What are the key properties of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide is sourced from PubChem (CID 91960218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).