3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide

C14H18N4O — CID 107461918

IUPAC3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C14H18N4O/c1-4-12-13(8-18(3)17-12)16-14(19)10-6-5-7-11(15)9(10)2/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyVDDVSQHLJIMEHR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide (PubChem CID 107461918) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
PubChem CID107461918
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C14H18N4O/c1-4-12-13(8-18(3)17-12)16-14(19)10-6-5-7-11(15)9(10)2/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyVDDVSQHLJIMEHR-UHFFFAOYSA-N
XLogP2.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide 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

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
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
methyl 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464519

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide (CID 107461918) is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide is CCc1nn(C)cc1NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
The InChIKey is VDDVSQHLJIMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-12-13(8-18(3)17-12)16-14(19)10-6-5-7-11(15)9(10)2/h5-8H,4,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide is sourced from PubChem (CID 107461918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).