5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide

C13H15FN4O — CID 103296808

IUPAC5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2n[nH]c(C)c2C)c1F
InChIInChI=1S/C13H15FN4O/c1-6-4-9(15)5-10(11(6)14)13(19)16-12-7(2)8(3)17-18-12/h4-5H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyKRQIGGRQWOPGAF-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.31
Rot. Bonds2

About 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide

5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide (PubChem CID 103296808) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
PubChem CID103296808
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2n[nH]c(C)c2C)c1F
InChIInChI=1S/C13H15FN4O/c1-6-4-9(15)5-10(11(6)14)13(19)16-12-7(2)8(3)17-18-12/h4-5H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyKRQIGGRQWOPGAF-UHFFFAOYSA-N
XLogP2.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-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

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
CID 115609989
4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344588
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide (CID 103296808) is 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2n[nH]c(C)c2C)c1F.
What is the InChIKey of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is KRQIGGRQWOPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-6-4-9(15)5-10(11(6)14)13(19)16-12-7(2)8(3)17-18-12/h4-5H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide?
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 262.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).