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

C11H11FN4O — CID 63819395

IUPAC2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(F)ccc2N)n[nH]1
InChIInChI=1S/C11H11FN4O/c1-6-4-10(16-15-6)14-11(17)8-5-7(12)2-3-9(8)13/h2-5H,13H2,1H3,(H2,14,15,16,17)
InChIKeyQSVXNVPYKFFSEV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.69
Rot. Bonds2

About 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide

2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 63819395) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID63819395
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(F)ccc2N)n[nH]1
InChIInChI=1S/C11H11FN4O/c1-6-4-10(16-15-6)14-11(17)8-5-7(12)2-3-9(8)13/h2-5H,13H2,1H3,(H2,14,15,16,17)
InChIKeyQSVXNVPYKFFSEV-UHFFFAOYSA-N
XLogP1.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.69
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

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819398
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819390

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 63819395) is 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(F)ccc2N)n[nH]1.
What is the InChIKey of 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is QSVXNVPYKFFSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-4-10(16-15-6)14-11(17)8-5-7(12)2-3-9(8)13/h2-5H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 234.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 63819395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).