N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide

C19H27N3O3 — CID 14995840

IUPACN-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCOCCc1ccc(OCCNC(=O)c2cc(C)nn2C)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-5-24-10-8-16-6-7-18(14(2)12-16)25-11-9-20-19(23)17-13-15(3)21-22(17)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,23)
InChIKeyYDQNHCDNFDJLTE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.42
Rot. Bonds9

About N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 14995840) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID14995840
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCOCCc1ccc(OCCNC(=O)c2cc(C)nn2C)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-5-24-10-8-16-6-7-18(14(2)12-16)25-11-9-20-19(23)17-13-15(3)21-22(17)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,23)
InChIKeyYDQNHCDNFDJLTE-UHFFFAOYSA-N
XLogP2.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 14995840) is N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide is CCOCCc1ccc(OCCNC(=O)c2cc(C)nn2C)c(C)c1.
What is the InChIKey of N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YDQNHCDNFDJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-24-10-8-16-6-7-18(14(2)12-16)25-11-9-20-19(23)17-13-15(3)21-22(17)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,23).
What are the key properties of N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 14995840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).