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

C13H14ClN3O2 — CID 47291455

IUPAC5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2cc(Cl)ccc2O)cn1
InChIInChI=1S/C13H14ClN3O2/c1-17-8-9(7-16-17)4-5-15-13(19)11-6-10(14)2-3-12(11)18/h2-3,6-8,18H,4-5H2,1H3,(H,15,19)
InChIKeyQBXBBQIIQBGMDF-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.75
Rot. Bonds4

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

5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 47291455) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID47291455
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2cc(Cl)ccc2O)cn1
InChIInChI=1S/C13H14ClN3O2/c1-17-8-9(7-16-17)4-5-15-13(19)11-6-10(14)2-3-12(11)18/h2-3,6-8,18H,4-5H2,1H3,(H,15,19)
InChIKeyQBXBBQIIQBGMDF-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.75
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-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 47291455) is 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is Cn1cc(CCNC(=O)c2cc(Cl)ccc2O)cn1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is QBXBBQIIQBGMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17-8-9(7-16-17)4-5-15-13(19)11-6-10(14)2-3-12(11)18/h2-3,6-8,18H,4-5H2,1H3,(H,15,19).
What are the key properties of 5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 279.73 g/mol, XLogP of 1.75, 4 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-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 47291455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).