N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide

C10H8ClIN4O — CID 114030278

IUPACN-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
SMILESNc1cn[nH]c1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H8ClIN4O/c11-5-1-2-7(12)6(3-5)10(17)15-9-8(13)4-14-16-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyFXPOTBPZMBLOLU-UHFFFAOYSA-N
MW362.56 g/mol
LogP2.50
Rot. Bonds2

About N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide

N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide (PubChem CID 114030278) has the molecular formula C10H8ClIN4O and a molecular weight of 362.56 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
PubChem CID114030278
Molecular FormulaC10H8ClIN4O
Molecular Weight362.56 g/mol
Exact Mass361.94
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
SMILESNc1cn[nH]c1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H8ClIN4O/c11-5-1-2-7(12)6(3-5)10(17)15-9-8(13)4-14-16-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyFXPOTBPZMBLOLU-UHFFFAOYSA-N
XLogP2.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959506
N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
CID 113265570
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
CID 61117079
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 79503598
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide (CID 114030278) is N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide is Nc1cn[nH]c1NC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide?
The InChIKey is FXPOTBPZMBLOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN4O/c11-5-1-2-7(12)6(3-5)10(17)15-9-8(13)4-14-16-9/h1-4H,13H2,(H2,14,15,16,17).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide?
N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide has a molecular weight of 362.56 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 114030278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).