2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide

C11H11FN4O — CID 114253378

IUPAC2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide
SMILESCc1cc(N)nn1-c1ccc(F)cc1C(N)=O
InChIInChI=1S/C11H11FN4O/c1-6-4-10(13)15-16(6)9-3-2-7(12)5-8(9)11(14)17/h2-5H,1H3,(H2,13,15)(H2,14,17)
InChIKeyQVRZMMQRWPNQBP-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.00
Rot. Bonds2

About 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide

2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide (PubChem CID 114253378) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide
PubChem CID114253378
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide
SMILESCc1cc(N)nn1-c1ccc(F)cc1C(N)=O
InChIInChI=1S/C11H11FN4O/c1-6-4-10(13)15-16(6)9-3-2-7(12)5-8(9)11(14)17/h2-5H,1H3,(H2,13,15)(H2,14,17)
InChIKeyQVRZMMQRWPNQBP-UHFFFAOYSA-N
XLogP1.00
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
2-(3-amino-1,2,4-triazol-1-yl)-5-fluorobenzamide
CID 63673140
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
2-(2-ethylimidazol-1-yl)-5-fluorobenzamide
CID 63810233
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
1-(3-fluoro-5-methylphenyl)-5-methylpyrazol-3-amine
CID 102942937
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872711
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548
5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 157022662
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
CID 102942299

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide?
The IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide (CID 114253378) is 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide?
The canonical SMILES for 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide is Cc1cc(N)nn1-c1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide?
The InChIKey is QVRZMMQRWPNQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-4-10(13)15-16(6)9-3-2-7(12)5-8(9)11(14)17/h2-5H,1H3,(H2,13,15)(H2,14,17).
What are the key properties of 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide?
2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide has a molecular weight of 234.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide is sourced from PubChem (CID 114253378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).