3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C12H13FN4O — CID 113433366

IUPAC3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-6-5-15-17-11(6)16-12(18)8-3-9(13)7(2)10(14)4-8/h3-5H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyJHXNGXXZMBRCPW-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.00
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide

3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 113433366) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID113433366
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-6-5-15-17-11(6)16-12(18)8-3-9(13)7(2)10(14)4-8/h3-5H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyJHXNGXXZMBRCPW-UHFFFAOYSA-N
XLogP2.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115694727
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)furan-3-carboxamide
CID 114821900
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 112691335
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 113433366) is 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide is Cc1cn[nH]c1NC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is JHXNGXXZMBRCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-6-5-15-17-11(6)16-12(18)8-3-9(13)7(2)10(14)4-8/h3-5H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 248.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 113433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).