N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide

C17H23N3O2 — CID 46989362

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide
SMILESCOCc1cc(CNC(=O)c2c(C)c(C)cc(C)c2C)[nH]n1
InChIInChI=1S/C17H23N3O2/c1-10-6-11(2)13(4)16(12(10)3)17(21)18-8-14-7-15(9-22-5)20-19-14/h6-7H,8-9H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyTXGZCIJTELKUPE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.72
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide (PubChem CID 46989362) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide
PubChem CID46989362
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide
SMILESCOCc1cc(CNC(=O)c2c(C)c(C)cc(C)c2C)[nH]n1
InChIInChI=1S/C17H23N3O2/c1-10-6-11(2)13(4)16(12(10)3)17(21)18-8-14-7-15(9-22-5)20-19-14/h6-7H,8-9H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyTXGZCIJTELKUPE-UHFFFAOYSA-N
XLogP2.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide (CID 46989362) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide is COCc1cc(CNC(=O)c2c(C)c(C)cc(C)c2C)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide?
The InChIKey is TXGZCIJTELKUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10-6-11(2)13(4)16(12(10)3)17(21)18-8-14-7-15(9-22-5)20-19-14/h6-7H,8-9H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide is sourced from PubChem (CID 46989362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).