3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile

C12H9N5 — CID 139030486

IUPAC3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17)
InChIKeyALVYLOVBZSBJDI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.01
Rot. Bonds1

About 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile

3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 139030486) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile
PubChem CID139030486
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17)
InChIKeyALVYLOVBZSBJDI-UHFFFAOYSA-N
XLogP2.01
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile (CID 139030486) is 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1-c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is ALVYLOVBZSBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17).
What are the key properties of 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile?
3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 223.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 139030486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).