4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide

C13H14Cl2N4O — CID 103910781

IUPAC4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4O/c1-3-10-11(6-19(2)18-10)17-13(20)7-4-8(14)12(16)9(15)5-7/h4-6H,3,16H2,1-2H3,(H,17,20)
InChIKeySYMZVQMHYNCBKP-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.12
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide

4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide (PubChem CID 103910781) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
PubChem CID103910781
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4O/c1-3-10-11(6-19(2)18-10)17-13(20)7-4-8(14)12(16)9(15)5-7/h4-6H,3,16H2,1-2H3,(H,17,20)
InChIKeySYMZVQMHYNCBKP-UHFFFAOYSA-N
XLogP3.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 113349973
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
CID 103910780
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
N-(4-carbamothioyl-2-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107808537
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide (CID 103910781) is 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide is CCc1nn(C)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The InChIKey is SYMZVQMHYNCBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-3-10-11(6-19(2)18-10)17-13(20)7-4-8(14)12(16)9(15)5-7/h4-6H,3,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 103910781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).