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

C12H13FN4O — CID 43547708

IUPAC2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H13FN4O/c1-6-11(7(2)17-16-6)15-12(18)9-5-8(13)3-4-10(9)14/h3-5H,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLCTWSEICZNCENB-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.00
Rot. Bonds2

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

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide (PubChem CID 43547708) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
PubChem CID43547708
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H13FN4O/c1-6-11(7(2)17-16-6)15-12(18)9-5-8(13)3-4-10(9)14/h3-5H,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLCTWSEICZNCENB-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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-2-nitrobenzamide
CID 60877333
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 61092674
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395
3-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzamide
CID 107872220
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide
CID 104586731
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 62681392
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 43546666

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide (CID 43547708) is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide is Cc1n[nH]c(C)c1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide?
The InChIKey is LCTWSEICZNCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-6-11(7(2)17-16-6)15-12(18)9-5-8(13)3-4-10(9)14/h3-5H,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide?
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide 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 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide is sourced from PubChem (CID 43547708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).