3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile

C20H14N4 — CID 118664208

IUPAC3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)c1
InChIInChI=1S/C20H14N4/c21-12-14-3-1-6-19(9-14)24-20-11-16(7-8-17(20)13-23-24)15-4-2-5-18(22)10-15/h1-11,13H,22H2
InChIKeyLRZXBIQUXJENRG-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.15
Rot. Bonds2

About 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile

3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile (PubChem CID 118664208) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile
PubChem CID118664208
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)c1
InChIInChI=1S/C20H14N4/c21-12-14-3-1-6-19(9-14)24-20-11-16(7-8-17(20)13-23-24)15-4-2-5-18(22)10-15/h1-11,13H,22H2
InChIKeyLRZXBIQUXJENRG-UHFFFAOYSA-N
XLogP4.15
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-5-methylpyrazol-1-yl)benzonitrile
CID 60867380
3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile
CID 66441630
3-(3,5-dioxo-1,2,4-triazin-2-yl)benzonitrile
CID 12569263
3-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 43542996
3-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]benzonitrile
CID 43543000
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
1-phenylindazol-5-amine
CID 83414114
2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
CID 62494224
3-(3-aminophenyl)-5-chlorobenzonitrile
CID 172993816
3-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile
CID 24938750
5-amino-2-indazol-1-ylbenzonitrile
CID 55040979
1-(1H-pyrazol-4-yl)indazole-5-carbonitrile
CID 175755944

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile?
The IUPAC name of 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile (CID 118664208) is 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile.
What is the SMILES notation for 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile?
The canonical SMILES for 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile is N#Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)c1.
What is the InChIKey of 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile?
The InChIKey is LRZXBIQUXJENRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c21-12-14-3-1-6-19(9-14)24-20-11-16(7-8-17(20)13-23-24)15-4-2-5-18(22)10-15/h1-11,13H,22H2.
What are the key properties of 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile?
3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile is sourced from PubChem (CID 118664208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).