4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide

C12H12ClN3O2 — CID 43430114

IUPAC4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide
SMILESCCn1cc(NC(=O)c2ccc(Cl)cc2O)cn1
InChIInChI=1S/C12H12ClN3O2/c1-2-16-7-9(6-14-16)15-12(18)10-4-3-8(13)5-11(10)17/h3-7,17H,2H2,1H3,(H,15,18)
InChIKeyKCYCIJVVLPRYSH-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.51
Rot. Bonds3

About 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide

4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide (PubChem CID 43430114) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide
PubChem CID43430114
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide
SMILESCCn1cc(NC(=O)c2ccc(Cl)cc2O)cn1
InChIInChI=1S/C12H12ClN3O2/c1-2-16-7-9(6-14-16)15-12(18)10-4-3-8(13)5-11(10)17/h3-7,17H,2H2,1H3,(H,15,18)
InChIKeyKCYCIJVVLPRYSH-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide (CID 43430114) is 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide is CCn1cc(NC(=O)c2ccc(Cl)cc2O)cn1.
What is the InChIKey of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide?
The InChIKey is KCYCIJVVLPRYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-16-7-9(6-14-16)15-12(18)10-4-3-8(13)5-11(10)17/h3-7,17H,2H2,1H3,(H,15,18).
What are the key properties of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide?
4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide has a molecular weight of 265.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide is sourced from PubChem (CID 43430114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).