N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide

C19H20N4O2 — CID 147260569

IUPACN-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide
SMILESCCCNC(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C19H20N4O2/c1-2-9-20-19(24)15-5-3-4-14(11-15)13-25-16-6-7-17(21-12-16)18-8-10-22-23-18/h3-8,10-12H,2,9,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyCOLXRJSXJIVWJY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.19
Rot. Bonds7

About N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide

N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide (PubChem CID 147260569) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide.

Molecular Properties

Compound NameN-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide
PubChem CID147260569
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide
SMILESCCCNC(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C19H20N4O2/c1-2-9-20-19(24)15-5-3-4-14(11-15)13-25-16-6-7-17(21-12-16)18-8-10-22-23-18/h3-8,10-12H,2,9,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyCOLXRJSXJIVWJY-UHFFFAOYSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide?
The IUPAC name of N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide (CID 147260569) is N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide.
What is the SMILES notation for N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide?
The canonical SMILES for N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide is CCCNC(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide?
The InChIKey is COLXRJSXJIVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-9-20-19(24)15-5-3-4-14(11-15)13-25-16-6-7-17(21-12-16)18-8-10-22-23-18/h3-8,10-12H,2,9,13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide?
N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide is sourced from PubChem (CID 147260569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).