2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile

C12H8N4 — CID 135545325

IUPAC2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccn[nH]3)cc12
InChIInChI=1S/C12H8N4/c13-7-8-2-1-3-10-9(8)6-12(15-10)11-4-5-14-16-11/h1-6,15H,(H,14,16)
InChIKeyKLTQVBNAKAMYNB-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.43
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile

2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile (PubChem CID 135545325) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile
PubChem CID135545325
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccn[nH]3)cc12
InChIInChI=1S/C12H8N4/c13-7-8-2-1-3-10-9(8)6-12(15-10)11-4-5-14-16-11/h1-6,15H,(H,14,16)
InChIKeyKLTQVBNAKAMYNB-UHFFFAOYSA-N
XLogP2.43
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile (CID 135545325) is 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3ccn[nH]3)cc12.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile?
The InChIKey is KLTQVBNAKAMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c13-7-8-2-1-3-10-9(8)6-12(15-10)11-4-5-14-16-11/h1-6,15H,(H,14,16).
What are the key properties of 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile?
2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 135545325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).