5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C13H15ClN4O — CID 61110943

IUPAC5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-7-12(8(2)18(3)17-7)16-13(19)10-6-9(15)4-5-11(10)14/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyZXIRDNCUVIIEFF-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.52
Rot. Bonds2

About 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 61110943) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID61110943
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-7-12(8(2)18(3)17-7)16-13(19)10-6-9(15)4-5-11(10)14/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyZXIRDNCUVIIEFF-UHFFFAOYSA-N
XLogP2.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.52
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

5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 61113384
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 61113003
2-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 60645859
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide
CID 103336954
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 61110943) is 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is ZXIRDNCUVIIEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7-12(8(2)18(3)17-7)16-13(19)10-6-9(15)4-5-11(10)14/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 61110943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).