4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

C13H15FN4O — CID 79048774

IUPAC4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2c(N)c(C)nn2C)c1
InChIInChI=1S/C13H15FN4O/c1-7-4-9(14)6-10(5-7)16-13(19)12-11(15)8(2)17-18(12)3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyXTDGAHNWKMSVGK-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.01
Rot. Bonds2

About 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 79048774) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID79048774
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2c(N)c(C)nn2C)c1
InChIInChI=1S/C13H15FN4O/c1-7-4-9(14)6-10(5-7)16-13(19)12-11(15)8(2)17-18(12)3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyXTDGAHNWKMSVGK-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 115375824
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 82014018
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 79048774) is 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1cc(F)cc(NC(=O)c2c(N)c(C)nn2C)c1.
What is the InChIKey of 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is XTDGAHNWKMSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-4-9(14)6-10(5-7)16-13(19)12-11(15)8(2)17-18(12)3/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 79048774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).