3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide

C13H16N4O — CID 54951124

IUPAC3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNCc1cccc(C(=O)NCCn2cccn2)c1
InChIInChI=1S/C13H16N4O/c14-10-11-3-1-4-12(9-11)13(18)15-6-8-17-7-2-5-16-17/h1-5,7,9H,6,8,10,14H2,(H,15,18)
InChIKeyMESBBEQJSRVARG-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.77
Rot. Bonds5

About 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide

3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 54951124) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID54951124
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNCc1cccc(C(=O)NCCn2cccn2)c1
InChIInChI=1S/C13H16N4O/c14-10-11-3-1-4-12(9-11)13(18)15-6-8-17-7-2-5-16-17/h1-5,7,9H,6,8,10,14H2,(H,15,18)
InChIKeyMESBBEQJSRVARG-UHFFFAOYSA-N
XLogP0.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
[[6-[[3-(2-pyrazol-1-ylethylcarbamoyl)phenyl]methoxy]pyrimidin-4-yl]methylamino] 2,2,2-trifluoroacetate
CID 135200344
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide (CID 54951124) is 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide is NCc1cccc(C(=O)NCCn2cccn2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is MESBBEQJSRVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-10-11-3-1-4-12(9-11)13(18)15-6-8-17-7-2-5-16-17/h1-5,7,9H,6,8,10,14H2,(H,15,18).
What are the key properties of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide?
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 54951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).