N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide

C15H19N3O2 — CID 37358108

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O2/c1-3-20-11-13-6-4-12(5-7-13)8-16-15(19)14-9-17-18(2)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,19)
InChIKeyYOFQWGLZHSLWAJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.89
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 37358108) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID37358108
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O2/c1-3-20-11-13-6-4-12(5-7-13)8-16-15(19)14-9-17-18(2)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,19)
InChIKeyYOFQWGLZHSLWAJ-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide (CID 37358108) is N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide is CCOCc1ccc(CNC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YOFQWGLZHSLWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-11-13-6-4-12(5-7-13)8-16-15(19)14-9-17-18(2)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,19).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 37358108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).