1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile

C19H13FN4O — CID 67357749

IUPAC1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile
SMILESCn1nccc1-c1c(C#N)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C19H13FN4O/c1-23-18(8-9-22-23)19-14(11-21)13-4-2-3-5-16(13)24(19)17-7-6-12(25)10-15(17)20/h2-10,25H,1H3
InChIKeyKBNJFYWGZLXURD-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.75
Rot. Bonds2

About 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile

1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile (PubChem CID 67357749) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile
PubChem CID67357749
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile
SMILESCn1nccc1-c1c(C#N)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C19H13FN4O/c1-23-18(8-9-22-23)19-14(11-21)13-4-2-3-5-16(13)24(19)17-7-6-12(25)10-15(17)20/h2-10,25H,1H3
InChIKeyKBNJFYWGZLXURD-UHFFFAOYSA-N
XLogP3.75
TPSA66.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile?
The IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile (CID 67357749) is 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile?
The canonical SMILES for 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile is Cn1nccc1-c1c(C#N)c2ccccc2n1-c1ccc(O)cc1F.
What is the InChIKey of 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile?
The InChIKey is KBNJFYWGZLXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c1-23-18(8-9-22-23)19-14(11-21)13-4-2-3-5-16(13)24(19)17-7-6-12(25)10-15(17)20/h2-10,25H,1H3.
What are the key properties of 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile?
1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile has a molecular weight of 332.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)indole-3-carbonitrile is sourced from PubChem (CID 67357749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).