2-amino-N-(2-pyrazol-1-ylethyl)benzamide

C12H14N4O — CID 61459954

IUPAC2-amino-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNc1ccccc1C(=O)NCCn1cccn1
InChIInChI=1S/C12H14N4O/c13-11-5-2-1-4-10(11)12(17)14-7-9-16-8-3-6-15-16/h1-6,8H,7,9,13H2,(H,14,17)
InChIKeyOFCDUPHJKFKJCR-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-N-(2-pyrazol-1-ylethyl)benzamide

2-amino-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 61459954) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID61459954
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-amino-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNc1ccccc1C(=O)NCCn1cccn1
InChIInChI=1S/C12H14N4O/c13-11-5-2-1-4-10(11)12(17)14-7-9-16-8-3-6-15-16/h1-6,8H,7,9,13H2,(H,14,17)
InChIKeyOFCDUPHJKFKJCR-UHFFFAOYSA-N
XLogP0.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62243686
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 114089447
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354
6-amino-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62186175
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62243688
5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 138028075
2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115597314

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 2-amino-N-(2-pyrazol-1-ylethyl)benzamide (CID 61459954) is 2-amino-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-pyrazol-1-ylethyl)benzamide is Nc1ccccc1C(=O)NCCn1cccn1.
What is the InChIKey of 2-amino-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is OFCDUPHJKFKJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11-5-2-1-4-10(11)12(17)14-7-9-16-8-3-6-15-16/h1-6,8H,7,9,13H2,(H,14,17).
What are the key properties of 2-amino-N-(2-pyrazol-1-ylethyl)benzamide?
2-amino-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 61459954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).