4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide

C11H10ClN3O2 — CID 43430118

IUPAC4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Cl)cc2O)cn1
InChIInChI=1S/C11H10ClN3O2/c1-15-6-8(5-13-15)14-11(17)9-3-2-7(12)4-10(9)16/h2-6,16H,1H3,(H,14,17)
InChIKeyJHZAUTDXBPBGLW-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.03
Rot. Bonds2

About 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide

4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 43430118) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID43430118
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Cl)cc2O)cn1
InChIInChI=1S/C11H10ClN3O2/c1-15-6-8(5-13-15)14-11(17)9-3-2-7(12)4-10(9)16/h2-6,16H,1H3,(H,14,17)
InChIKeyJHZAUTDXBPBGLW-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide (CID 43430118) is 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(Cl)cc2O)cn1.
What is the InChIKey of 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is JHZAUTDXBPBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-15-6-8(5-13-15)14-11(17)9-3-2-7(12)4-10(9)16/h2-6,16H,1H3,(H,14,17).
What are the key properties of 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide?
4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 251.67 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 43430118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).