N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

C11H10FN3O2 — CID 64780694

IUPACN-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C11H10FN3O2/c1-15-6-7(5-13-15)11(17)14-8-2-3-10(16)9(12)4-8/h2-6,16H,1H3,(H,14,17)
InChIKeyIDBMEBHMNXMDNL-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.52
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 64780694) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID64780694
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C11H10FN3O2/c1-15-6-7(5-13-15)11(17)14-8-2-3-10(16)9(12)4-8/h2-6,16H,1H3,(H,14,17)
InChIKeyIDBMEBHMNXMDNL-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.52
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-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (CID 64780694) is N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(O)c(F)c2)cn1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IDBMEBHMNXMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-15-6-7(5-13-15)11(17)14-8-2-3-10(16)9(12)4-8/h2-6,16H,1H3,(H,14,17).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 64780694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).