N-(pyrazol-1-ylmethyl)benzamide

C11H11N3O — CID 70404120

IUPACN-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCn1cccn1)c1ccccc1
InChIInChI=1S/C11H11N3O/c15-11(10-5-2-1-3-6-10)12-9-14-8-4-7-13-14/h1-8H,9H2,(H,12,15)
InChIKeyDEFBOQZPQAFHMX-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.27
Rot. Bonds3

About N-(pyrazol-1-ylmethyl)benzamide

N-(pyrazol-1-ylmethyl)benzamide (PubChem CID 70404120) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(pyrazol-1-ylmethyl)benzamide
PubChem CID70404120
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCn1cccn1)c1ccccc1
InChIInChI=1S/C11H11N3O/c15-11(10-5-2-1-3-6-10)12-9-14-8-4-7-13-14/h1-8H,9H2,(H,12,15)
InChIKeyDEFBOQZPQAFHMX-UHFFFAOYSA-N
XLogP1.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
pyrazol-1-ylmethylcarbamic acid;hydrochloride
CID 70297363
N-pyrazol-1-ylbenzamide
CID 57160205
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
N-ethylbenzamide
CID 160772566
3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide
CID 123590520
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
N-ethylbenzamide;hydrochloride
CID 57444995
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251

Frequently Asked Questions

What is the IUPAC name of N-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(pyrazol-1-ylmethyl)benzamide (CID 70404120) is N-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(pyrazol-1-ylmethyl)benzamide is O=C(NCn1cccn1)c1ccccc1.
What is the InChIKey of N-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is DEFBOQZPQAFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11(10-5-2-1-3-6-10)12-9-14-8-4-7-13-14/h1-8H,9H2,(H,12,15).
What are the key properties of N-(pyrazol-1-ylmethyl)benzamide?
N-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 201.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 70404120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).