5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide

C14H17ClN4O — CID 107197152

IUPAC5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide
SMILESCCc1cc(CC)n(-c2c(Cl)cc(N)cc2C(N)=O)n1
InChIInChI=1S/C14H17ClN4O/c1-3-9-7-10(4-2)19(18-9)13-11(14(17)20)5-8(16)6-12(13)15/h5-7H,3-4,16H2,1-2H3,(H2,17,20)
InChIKeyPIZZGUCHBWTLLS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.33
Rot. Bonds4

About 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide

5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide (PubChem CID 107197152) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide
PubChem CID107197152
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide
SMILESCCc1cc(CC)n(-c2c(Cl)cc(N)cc2C(N)=O)n1
InChIInChI=1S/C14H17ClN4O/c1-3-9-7-10(4-2)19(18-9)13-11(14(17)20)5-8(16)6-12(13)15/h5-7H,3-4,16H2,1-2H3,(H2,17,20)
InChIKeyPIZZGUCHBWTLLS-UHFFFAOYSA-N
XLogP2.33
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide (CID 107197152) is 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide is CCc1cc(CC)n(-c2c(Cl)cc(N)cc2C(N)=O)n1.
What is the InChIKey of 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide?
The InChIKey is PIZZGUCHBWTLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-9-7-10(4-2)19(18-9)13-11(14(17)20)5-8(16)6-12(13)15/h5-7H,3-4,16H2,1-2H3,(H2,17,20).
What are the key properties of 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide?
5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(3,5-diethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 107197152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).