2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H19N3O2 — CID 42894059

IUPAC2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)18(4)17-10)16-15(19)12(3)20-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,16,19)
InChIKeyGENCATRKVKSDGC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds4

About 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 42894059) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID42894059
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)18(4)17-10)16-15(19)12(3)20-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,16,19)
InChIKeyGENCATRKVKSDGC-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 42894059) is 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GENCATRKVKSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-14(11(2)18(4)17-10)16-15(19)12(3)20-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,16,19).
What are the key properties of 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 42894059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).