5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C12H12ClN3O2 — CID 47375352

IUPAC5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(Cl)ccc2O)cn1
InChIInChI=1S/C12H12ClN3O2/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(13)2-3-11(10)17/h2-4,6-7,17H,5H2,1H3,(H,14,18)
InChIKeyGDLXQPIHSQGDOK-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.71
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 47375352) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID47375352
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(Cl)ccc2O)cn1
InChIInChI=1S/C12H12ClN3O2/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(13)2-3-11(10)17/h2-4,6-7,17H,5H2,1H3,(H,14,18)
InChIKeyGDLXQPIHSQGDOK-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 47375352) is 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2cc(Cl)ccc2O)cn1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is GDLXQPIHSQGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(13)2-3-11(10)17/h2-4,6-7,17H,5H2,1H3,(H,14,18).
What are the key properties of 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 265.70 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47375352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).