N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide

C11H11N5O — CID 18945125

IUPACN-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
SMILESNC(N)=NC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C11H11N5O/c12-11(13)15-10(17)8-3-1-4-9(7-8)16-6-2-5-14-16/h1-7H,(H4,12,13,15,17)
InChIKeyZTZRRXLFGPMSOR-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.29
Rot. Bonds2

About N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide

N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide (PubChem CID 18945125) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
PubChem CID18945125
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
SMILESNC(N)=NC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C11H11N5O/c12-11(13)15-10(17)8-3-1-4-9(7-8)16-6-2-5-14-16/h1-7H,(H4,12,13,15,17)
InChIKeyZTZRRXLFGPMSOR-UHFFFAOYSA-N
XLogP0.29
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
CID 162627810
ethyl 3-pyrazol-1-ylbenzenecarboximidate
CID 175336696
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine
CID 123549247
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 96528372
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
(3-pyrazol-1-ylphenyl) acetate
CID 67940109
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide (CID 18945125) is N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide is NC(N)=NC(=O)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide?
The InChIKey is ZTZRRXLFGPMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-11(13)15-10(17)8-3-1-4-9(7-8)16-6-2-5-14-16/h1-7H,(H4,12,13,15,17).
What are the key properties of N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide?
N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide has a molecular weight of 229.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 18945125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).