N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide

C11H9Cl2N3O2 — CID 75523474

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2/c12-8-3-7(4-9(13)11(8)18)15-10(17)5-6-1-2-14-16-6/h1-4,18H,5H2,(H,14,16)(H,15,17)
InChIKeyCZTOUMCQQDZSMH-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.60
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 75523474) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID75523474
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2/c12-8-3-7(4-9(13)11(8)18)15-10(17)5-6-1-2-14-16-6/h1-4,18H,5H2,(H,14,16)(H,15,17)
InChIKeyCZTOUMCQQDZSMH-UHFFFAOYSA-N
XLogP2.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139290
3,5-dichloro-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 82830477
N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575732
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 166225847
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 75519842
5-chloro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79140170
2-methyl-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139697
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522925

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide (CID 75523474) is N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is CZTOUMCQQDZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c12-8-3-7(4-9(13)11(8)18)15-10(17)5-6-1-2-14-16-6/h1-4,18H,5H2,(H,14,16)(H,15,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 286.12 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 75523474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).