5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile

C10H7FN4O — CID 137013108

IUPAC5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile
SMILESN#Cc1cc(-c2cc(N)n[nH]2)cc(F)c1O
InChIInChI=1S/C10H7FN4O/c11-7-2-5(1-6(4-12)10(7)16)8-3-9(13)15-14-8/h1-3,16H,(H3,13,14,15)
InChIKeyZIWOIBQVMFUSST-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.38
Rot. Bonds1

About 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile

5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile (PubChem CID 137013108) has the molecular formula C10H7FN4O and a molecular weight of 218.19 g/mol. Its IUPAC name is 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile
PubChem CID137013108
Molecular FormulaC10H7FN4O
Molecular Weight218.19 g/mol
Exact Mass218.06
IUPAC Name5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile
SMILESN#Cc1cc(-c2cc(N)n[nH]2)cc(F)c1O
InChIInChI=1S/C10H7FN4O/c11-7-2-5(1-6(4-12)10(7)16)8-3-9(13)15-14-8/h1-3,16H,(H3,13,14,15)
InChIKeyZIWOIBQVMFUSST-UHFFFAOYSA-N
XLogP1.38
TPSA98.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
CID 83396217
5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile
CID 117332213
5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine
CID 117397849
3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol
CID 136998730
4-(3-amino-1H-pyrazol-5-yl)-6-fluoro-1,3-benzodioxol-5-ol
CID 137017138
5-(3-cyano-5-fluoro-4-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136963462
3-fluoro-2-hydroxy-5-(2-hydroxyethyl)benzonitrile
CID 117278566
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbonitrile
CID 130103207
5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
CID 10171732
6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
CID 137017136

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile?
The IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile (CID 137013108) is 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile?
The canonical SMILES for 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile is N#Cc1cc(-c2cc(N)n[nH]2)cc(F)c1O.
What is the InChIKey of 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile?
The InChIKey is ZIWOIBQVMFUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O/c11-7-2-5(1-6(4-12)10(7)16)8-3-9(13)15-14-8/h1-3,16H,(H3,13,14,15).
What are the key properties of 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile?
5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile has a molecular weight of 218.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile is sourced from PubChem (CID 137013108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).