N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide

C14H17N3O2 — CID 110486259

IUPACN-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
SMILESCN(CCO)C(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C14H17N3O2/c1-16(6-7-18)14(19)12-5-3-4-11(8-12)13-9-15-17(2)10-13/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyOHWGWDZRHMCJFI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.15
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide

N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 110486259) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID110486259
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
SMILESCN(CCO)C(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C14H17N3O2/c1-16(6-7-18)14(19)12-5-3-4-11(8-12)13-9-15-17(2)10-13/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyOHWGWDZRHMCJFI-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide (CID 110486259) is N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide is CN(CCO)C(=O)c1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is OHWGWDZRHMCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16(6-7-18)14(19)12-5-3-4-11(8-12)13-9-15-17(2)10-13/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide?
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 110486259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).