N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C15H19N3O2 — CID 19281538

IUPACN-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-5-20-13-8-6-12(7-9-13)16-15(19)14-10(2)17-18(4)11(14)3/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyHSXCABAURWBUSS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds4

About N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19281538) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19281538
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-5-20-13-8-6-12(7-9-13)16-15(19)14-10(2)17-18(4)11(14)3/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyHSXCABAURWBUSS-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 19281538) is N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is HSXCABAURWBUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-20-13-8-6-12(7-9-13)16-15(19)14-10(2)17-18(4)11(14)3/h6-9H,5H2,1-4H3,(H,16,19).
What are the key properties of N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19281538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).