2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide

C11H12N4O — CID 61285252

IUPAC2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESNc1ccccc1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H12N4O/c12-10-4-2-1-3-9(10)11(16)13-7-8-5-6-14-15-8/h1-6H,7,12H2,(H,13,16)(H,14,15)
InChIKeyLHZPYWIRWYVFNU-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.92
Rot. Bonds3

About 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide

2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 61285252) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID61285252
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESNc1ccccc1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H12N4O/c12-10-4-2-1-3-9(10)11(16)13-7-8-5-6-14-15-8/h1-6H,7,12H2,(H,13,16)(H,14,15)
InChIKeyLHZPYWIRWYVFNU-UHFFFAOYSA-N
XLogP0.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114011349
1-hydroxy-N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide
CID 60975854
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
N-(1H-pyrazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 61283355
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61284863
2,3,5-triiodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 63404576
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 61285252) is 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide is Nc1ccccc1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is LHZPYWIRWYVFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10-4-2-1-3-9(10)11(16)13-7-8-5-6-14-15-8/h1-6H,7,12H2,(H,13,16)(H,14,15).
What are the key properties of 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide?
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 61285252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).