N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide

C12H13FN4O2 — CID 107015976

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCn1ncc(CNC(=O)c2c(O)cccc2F)c1N
InChIInChI=1S/C12H13FN4O2/c1-17-11(14)7(6-16-17)5-15-12(19)10-8(13)3-2-4-9(10)18/h2-4,6,18H,5,14H2,1H3,(H,15,19)
InChIKeyBAGHLKJVGKBOKS-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.78
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 107015976) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID107015976
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCn1ncc(CNC(=O)c2c(O)cccc2F)c1N
InChIInChI=1S/C12H13FN4O2/c1-17-11(14)7(6-16-17)5-15-12(19)10-8(13)3-2-4-9(10)18/h2-4,6,18H,5,14H2,1H3,(H,15,19)
InChIKeyBAGHLKJVGKBOKS-UHFFFAOYSA-N
XLogP0.78
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide
CID 79524482
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-chloro-6-nitrobenzamide
CID 79531423
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methyl-2-nitrobenzamide
CID 79531428
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 79524203
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79524448

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide (CID 107015976) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide is Cn1ncc(CNC(=O)c2c(O)cccc2F)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is BAGHLKJVGKBOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-17-11(14)7(6-16-17)5-15-12(19)10-8(13)3-2-4-9(10)18/h2-4,6,18H,5,14H2,1H3,(H,15,19).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 264.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107015976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).