4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide

C17H23N3O2 — CID 51088650

IUPAC4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)17(21)20(13(2)3)12-14-10-18-19(4)11-14/h6-11,13H,5,12H2,1-4H3
InChIKeyKZQRKGDXXYNHIL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.87
Rot. Bonds6

About 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide

4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 51088650) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID51088650
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)17(21)20(13(2)3)12-14-10-18-19(4)11-14/h6-11,13H,5,12H2,1-4H3
InChIKeyKZQRKGDXXYNHIL-UHFFFAOYSA-N
XLogP2.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide (CID 51088650) is 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide is CCOc1ccc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is KZQRKGDXXYNHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)17(21)20(13(2)3)12-14-10-18-19(4)11-14/h6-11,13H,5,12H2,1-4H3.
What are the key properties of 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 51088650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).