N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide

C14H10FN5O2 — CID 155106311

IUPACN-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1cnccn1
InChIInChI=1S/C14H10FN5O2/c15-8-1-2-12(21)9(5-8)10-6-13(20-19-10)18-14(22)11-7-16-3-4-17-11/h1-7,21H,(H2,18,19,20,22)
InChIKeyZZOVQWUTBBCUAT-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.96
Rot. Bonds3

About N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide

N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide (PubChem CID 155106311) has the molecular formula C14H10FN5O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
PubChem CID155106311
Molecular FormulaC14H10FN5O2
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC NameN-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1cnccn1
InChIInChI=1S/C14H10FN5O2/c15-8-1-2-12(21)9(5-8)10-6-13(20-19-10)18-14(22)11-7-16-3-4-17-11/h1-7,21H,(H2,18,19,20,22)
InChIKeyZZOVQWUTBBCUAT-UHFFFAOYSA-N
XLogP1.96
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide (CID 155106311) is N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide is O=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1cnccn1.
What is the InChIKey of N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is ZZOVQWUTBBCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2/c15-8-1-2-12(21)9(5-8)10-6-13(20-19-10)18-14(22)11-7-16-3-4-17-11/h1-7,21H,(H2,18,19,20,22).
What are the key properties of N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 299.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155106311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).