N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide

C10H8FN3O2 — CID 64788045

IUPACN-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H8FN3O2/c11-8-3-7(15)1-2-9(8)14-10(16)6-4-12-13-5-6/h1-5,15H,(H,12,13)(H,14,16)
InChIKeyTXOCIMXNCKTPQZ-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.51
Rot. Bonds2

About N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 64788045) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID64788045
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H8FN3O2/c11-8-3-7(15)1-2-9(8)14-10(16)6-4-12-13-5-6/h1-5,15H,(H,12,13)(H,14,16)
InChIKeyTXOCIMXNCKTPQZ-UHFFFAOYSA-N
XLogP1.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide (CID 64788045) is N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(O)cc1F)c1cn[nH]c1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is TXOCIMXNCKTPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-8-3-7(15)1-2-9(8)14-10(16)6-4-12-13-5-6/h1-5,15H,(H,12,13)(H,14,16).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 221.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).