2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C14H14N4 — CID 62487091

IUPAC2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccn(-c2nc3c(cc2C#N)CCCC3)n1
InChIInChI=1S/C14H14N4/c1-10-6-7-18(17-10)14-12(9-15)8-11-4-2-3-5-13(11)16-14/h6-8H,2-5H2,1H3
InChIKeyXLRQCAYZLMSBRX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.33
Rot. Bonds1

About 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 62487091) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID62487091
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccn(-c2nc3c(cc2C#N)CCCC3)n1
InChIInChI=1S/C14H14N4/c1-10-6-7-18(17-10)14-12(9-15)8-11-4-2-3-5-13(11)16-14/h6-8H,2-5H2,1H3
InChIKeyXLRQCAYZLMSBRX-UHFFFAOYSA-N
XLogP2.33
TPSA54.50 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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 62487091) is 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccn(-c2nc3c(cc2C#N)CCCC3)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is XLRQCAYZLMSBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-6-7-18(17-10)14-12(9-15)8-11-4-2-3-5-13(11)16-14/h6-8H,2-5H2,1H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 62487091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).