2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide

C13H15ClN4O — CID 107461888

IUPAC2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-3-10-11(7-18(2)17-10)16-13(19)12-8(14)5-4-6-9(12)15/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyUXGCQHKYWDMLRS-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide

2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide (PubChem CID 107461888) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
PubChem CID107461888
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-3-10-11(7-18(2)17-10)16-13(19)12-8(14)5-4-6-9(12)15/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyUXGCQHKYWDMLRS-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.47
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-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 103910781
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide (CID 107461888) is 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide is CCc1nn(C)cc1NC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The InChIKey is UXGCQHKYWDMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-10-11(7-18(2)17-10)16-13(19)12-8(14)5-4-6-9(12)15/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 107461888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).