3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide

C13H13ClFN3O2 — CID 75434344

IUPAC3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1c(CNC(=O)c2cc(F)cc(Cl)c2O)cnn1C
InChIInChI=1S/C13H13ClFN3O2/c1-7-8(6-17-18(7)2)5-16-13(20)10-3-9(15)4-11(14)12(10)19/h3-4,6,19H,5H2,1-2H3,(H,16,20)
InChIKeyGDRSVJMXQZVFMM-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.16
Rot. Bonds3

About 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide

3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 75434344) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide
PubChem CID75434344
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1c(CNC(=O)c2cc(F)cc(Cl)c2O)cnn1C
InChIInChI=1S/C13H13ClFN3O2/c1-7-8(6-17-18(7)2)5-16-13(20)10-3-9(15)4-11(14)12(10)19/h3-4,6,19H,5H2,1-2H3,(H,16,20)
InChIKeyGDRSVJMXQZVFMM-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide (CID 75434344) is 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide is Cc1c(CNC(=O)c2cc(F)cc(Cl)c2O)cnn1C.
What is the InChIKey of 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is GDRSVJMXQZVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-7-8(6-17-18(7)2)5-16-13(20)10-3-9(15)4-11(14)12(10)19/h3-4,6,19H,5H2,1-2H3,(H,16,20).
What are the key properties of 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide?
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 297.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 75434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).