3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile

C19H14N4 — CID 166626970

IUPAC3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile
SMILESCn1cc(-c2ccc3[nH]cc(-c4cccc(C#N)c4)c3c2)cn1
InChIInChI=1S/C19H14N4/c1-23-12-16(10-22-23)14-5-6-19-17(8-14)18(11-21-19)15-4-2-3-13(7-15)9-20/h2-8,10-12,21H,1H3
InChIKeyFGLUCICCLLPTDI-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.11
Rot. Bonds2

About 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile

3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile (PubChem CID 166626970) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile
PubChem CID166626970
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile
SMILESCn1cc(-c2ccc3[nH]cc(-c4cccc(C#N)c4)c3c2)cn1
InChIInChI=1S/C19H14N4/c1-23-12-16(10-22-23)14-5-6-19-17(8-14)18(11-21-19)15-4-2-3-13(7-15)9-20/h2-8,10-12,21H,1H3
InChIKeyFGLUCICCLLPTDI-UHFFFAOYSA-N
XLogP4.11
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
1-[5-[1-(3-cyanophenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-methylurea
CID 164574018
1-[3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 164754011
3-bromo-5-(1-methylpyrazol-4-yl)benzonitrile
CID 172990854
2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid
CID 11953086
3-[[4-[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 162127179
2-fluoro-5-(1-methylpyrazol-4-yl)benzonitrile
CID 58540875
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]sulfonylbenzonitrile
CID 59811968
3-[9-[2,6-bis(3-cyanophenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155446815
6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile
CID 170260915

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile?
The IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile (CID 166626970) is 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile.
What is the SMILES notation for 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile?
The canonical SMILES for 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile is Cn1cc(-c2ccc3[nH]cc(-c4cccc(C#N)c4)c3c2)cn1.
What is the InChIKey of 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile?
The InChIKey is FGLUCICCLLPTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-23-12-16(10-22-23)14-5-6-19-17(8-14)18(11-21-19)15-4-2-3-13(7-15)9-20/h2-8,10-12,21H,1H3.
What are the key properties of 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile?
3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile is sourced from PubChem (CID 166626970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).