N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

C11H9Cl2N3O2 — CID 82885113

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1
InChIInChI=1S/C11H9Cl2N3O2/c1-16-5-6(4-14-16)11(18)15-7-2-8(12)10(17)9(13)3-7/h2-5,17H,1H3,(H,15,18)
InChIKeyQURKZQPCSFSJLW-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.68
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 82885113) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID82885113
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1
InChIInChI=1S/C11H9Cl2N3O2/c1-16-5-6(4-14-16)11(18)15-7-2-8(12)10(17)9(13)3-7/h2-5,17H,1H3,(H,15,18)
InChIKeyQURKZQPCSFSJLW-UHFFFAOYSA-N
XLogP2.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (CID 82885113) is N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is QURKZQPCSFSJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-16-5-6(4-14-16)11(18)15-7-2-8(12)10(17)9(13)3-7/h2-5,17H,1H3,(H,15,18).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 82885113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).