2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide

C13H14ClN3O2 — CID 107463401

IUPAC2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-3-11-12(7-17(2)16-11)15-13(19)9-6-8(18)4-5-10(9)14/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyHNYCQDOJVLUVDW-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide

2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide (PubChem CID 107463401) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
PubChem CID107463401
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-3-11-12(7-17(2)16-11)15-13(19)9-6-8(18)4-5-10(9)14/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyHNYCQDOJVLUVDW-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 97109112
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 103910781
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103909985
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide (CID 107463401) is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide is CCc1nn(C)cc1NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide?
The InChIKey is HNYCQDOJVLUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-11-12(7-17(2)16-11)15-13(19)9-6-8(18)4-5-10(9)14/h4-7,18H,3H2,1-2H3,(H,15,19).
What are the key properties of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide?
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide has a molecular weight of 279.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide is sourced from PubChem (CID 107463401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).