3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide

C14H16N4O — CID 154743427

IUPAC3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CC(n3cccn3)C2)c1
InChIInChI=1S/C14H16N4O/c15-14(19)12-4-1-3-11(7-12)8-17-9-13(10-17)18-6-2-5-16-18/h1-7,13H,8-10H2,(H2,15,19)
InChIKeyKOVBNYQJKSQWHZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.04
Rot. Bonds4

About 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide

3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide (PubChem CID 154743427) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
PubChem CID154743427
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CC(n3cccn3)C2)c1
InChIInChI=1S/C14H16N4O/c15-14(19)12-4-1-3-11(7-12)8-17-9-13(10-17)18-6-2-5-16-18/h1-7,13H,8-10H2,(H2,15,19)
InChIKeyKOVBNYQJKSQWHZ-UHFFFAOYSA-N
XLogP1.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119917602
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
CID 119927575
3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide
CID 75435664
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
N-(1-benzylpyrrolidin-3-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 56781183
3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 97119273
3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 154744472

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide?
The IUPAC name of 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide (CID 154743427) is 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide is NC(=O)c1cccc(CN2CC(n3cccn3)C2)c1.
What is the InChIKey of 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide?
The InChIKey is KOVBNYQJKSQWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(19)12-4-1-3-11(7-12)8-17-9-13(10-17)18-6-2-5-16-18/h1-7,13H,8-10H2,(H2,15,19).
What are the key properties of 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide?
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide is sourced from PubChem (CID 154743427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).