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

C13H16N4O — CID 112579467

IUPAC3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide
SMILESCc1nn(-c2c(N)cccc2C(N)=O)c(C)c1C
InChIInChI=1S/C13H16N4O/c1-7-8(2)16-17(9(7)3)12-10(13(15)18)5-4-6-11(12)14/h4-6H,14H2,1-3H3,(H2,15,18)
InChIKeyDVPLZIKNMXEAFL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds2

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

3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide (PubChem CID 112579467) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide
PubChem CID112579467
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide
SMILESCc1nn(-c2c(N)cccc2C(N)=O)c(C)c1C
InChIInChI=1S/C13H16N4O/c1-7-8(2)16-17(9(7)3)12-10(13(15)18)5-4-6-11(12)14/h4-6H,14H2,1-3H3,(H2,15,18)
InChIKeyDVPLZIKNMXEAFL-UHFFFAOYSA-N
XLogP1.48
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.48
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-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoic acid
CID 112579483
2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoic acid
CID 61237756
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
2-amino-3-(4,5-dimethylimidazol-1-yl)benzamide
CID 115546804
1-[2-amino-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanone
CID 104529178
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 62129939
2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline
CID 61224584
methyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311141
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
ethyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311326
ethyl 3-amino-2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoate
CID 112579471
3-amino-2-(4,5-dicyanoimidazol-1-yl)benzamide
CID 112595314

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The IUPAC name of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide (CID 112579467) is 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The canonical SMILES for 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide is Cc1nn(-c2c(N)cccc2C(N)=O)c(C)c1C.
What is the InChIKey of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The InChIKey is DVPLZIKNMXEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-8(2)16-17(9(7)3)12-10(13(15)18)5-4-6-11(12)14/h4-6H,14H2,1-3H3,(H2,15,18).
What are the key properties of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide?
3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 112579467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).