2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide

C17H24N4O2 — CID 91766713

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
SMILESCCc1c(C)nn(CC(=O)NCC(C)Oc2cccnc2)c1C
InChIInChI=1S/C17H24N4O2/c1-5-16-13(3)20-21(14(16)4)11-17(22)19-9-12(2)23-15-7-6-8-18-10-15/h6-8,10,12H,5,9,11H2,1-4H3,(H,19,22)
InChIKeyCKMZBQZSYZBVBY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.04
Rot. Bonds7

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide (PubChem CID 91766713) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
PubChem CID91766713
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
SMILESCCc1c(C)nn(CC(=O)NCC(C)Oc2cccnc2)c1C
InChIInChI=1S/C17H24N4O2/c1-5-16-13(3)20-21(14(16)4)11-17(22)19-9-12(2)23-15-7-6-8-18-10-15/h6-8,10,12H,5,9,11H2,1-4H3,(H,19,22)
InChIKeyCKMZBQZSYZBVBY-UHFFFAOYSA-N
XLogP2.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide (CID 91766713) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide is CCc1c(C)nn(CC(=O)NCC(C)Oc2cccnc2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
The InChIKey is CKMZBQZSYZBVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-16-13(3)20-21(14(16)4)11-17(22)19-9-12(2)23-15-7-6-8-18-10-15/h6-8,10,12H,5,9,11H2,1-4H3,(H,19,22).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide is sourced from PubChem (CID 91766713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).