5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one

C12H11FN4O — CID 117367394

IUPAC5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cn[nH]c3N)cc(F)c21
InChIInChI=1S/C12H11FN4O/c1-17-10(18)4-7-2-6(3-9(13)11(7)17)8-5-15-16-12(8)14/h2-3,5H,4H2,1H3,(H3,14,15,16)
InChIKeyBYPXPEVVMQYRJG-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.32
Rot. Bonds1

About 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one

5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one (PubChem CID 117367394) has the molecular formula C12H11FN4O and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one
PubChem CID117367394
Molecular FormulaC12H11FN4O
Molecular Weight246.24 g/mol
Exact Mass246.09
IUPAC Name5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cn[nH]c3N)cc(F)c21
InChIInChI=1S/C12H11FN4O/c1-17-10(18)4-7-2-6(3-9(13)11(7)17)8-5-15-16-12(8)14/h2-3,5H,4H2,1H3,(H3,14,15,16)
InChIKeyBYPXPEVVMQYRJG-UHFFFAOYSA-N
XLogP1.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one
CID 117328790
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818
4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
CID 117376095
4-(3-chloro-5-ethyl-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117351847
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-amine
CID 117471761
4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117417284
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
(5R)-3-(7-fluoro-1-methyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11536643

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one (CID 117367394) is 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3cn[nH]c3N)cc(F)c21.
What is the InChIKey of 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one?
The InChIKey is BYPXPEVVMQYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-17-10(18)4-7-2-6(3-9(13)11(7)17)8-5-15-16-12(8)14/h2-3,5H,4H2,1H3,(H3,14,15,16).
What are the key properties of 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one?
5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one has a molecular weight of 246.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117367394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).