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

C19H13FN4O — CID 66897921

IUPAC1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile
SMILESCn1cc(-c2c(C#N)c3ccccc3n2-c2ccc(O)c(F)c2)cn1
InChIInChI=1S/C19H13FN4O/c1-23-11-12(10-22-23)19-15(9-21)14-4-2-3-5-17(14)24(19)13-6-7-18(25)16(20)8-13/h2-8,10-11,25H,1H3
InChIKeyIKDUYUXCMHQXAK-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.75
Rot. Bonds2

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

1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile (PubChem CID 66897921) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile
PubChem CID66897921
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile
SMILESCn1cc(-c2c(C#N)c3ccccc3n2-c2ccc(O)c(F)c2)cn1
InChIInChI=1S/C19H13FN4O/c1-23-11-12(10-22-23)19-15(9-21)14-4-2-3-5-17(14)24(19)13-6-7-18(25)16(20)8-13/h2-8,10-11,25H,1H3
InChIKeyIKDUYUXCMHQXAK-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-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile?
The IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile (CID 66897921) is 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile?
The canonical SMILES for 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile is Cn1cc(-c2c(C#N)c3ccccc3n2-c2ccc(O)c(F)c2)cn1.
What is the InChIKey of 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile?
The InChIKey is IKDUYUXCMHQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c1-23-11-12(10-22-23)19-15(9-21)14-4-2-3-5-17(14)24(19)13-6-7-18(25)16(20)8-13/h2-8,10-11,25H,1H3.
What are the key properties of 1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile?
1-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-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-(3-fluoro-4-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)indole-3-carbonitrile is sourced from PubChem (CID 66897921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).