5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C14H14N4 — CID 63751129

IUPAC5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCc3ccccc32)c1C#N
InChIInChI=1S/C14H14N4/c1-10-12(9-15)14(17(2)16-10)18-8-7-11-5-3-4-6-13(11)18/h3-6H,7-8H2,1-2H3
InChIKeyTZDNNMSRMOLIDB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.29
Rot. Bonds1

About 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63751129) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63751129
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCc3ccccc32)c1C#N
InChIInChI=1S/C14H14N4/c1-10-12(9-15)14(17(2)16-10)18-8-7-11-5-3-4-6-13(11)18/h3-6H,7-8H2,1-2H3
InChIKeyTZDNNMSRMOLIDB-UHFFFAOYSA-N
XLogP2.29
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 63751129) is 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N2CCc3ccccc32)c1C#N.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is TZDNNMSRMOLIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-12(9-15)14(17(2)16-10)18-8-7-11-5-3-4-6-13(11)18/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63751129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).