2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H18N6 — CID 126947868

IUPAC2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nc4c(cc3C#N)CCCC4)C2)c1
InChIInChI=1S/C18H18N6/c19-8-13-10-21-24(11-13)16-5-6-23(12-16)18-15(9-20)7-14-3-1-2-4-17(14)22-18/h7,10-11,16H,1-6,12H2
InChIKeyPGIAUDQIVTWEME-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.35
Rot. Bonds2

About 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 126947868) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID126947868
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nc4c(cc3C#N)CCCC4)C2)c1
InChIInChI=1S/C18H18N6/c19-8-13-10-21-24(11-13)16-5-6-23(12-16)18-15(9-20)7-14-3-1-2-4-17(14)22-18/h7,10-11,16H,1-6,12H2
InChIKeyPGIAUDQIVTWEME-UHFFFAOYSA-N
XLogP2.35
TPSA81.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126947507
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79927493
1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947843
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
2-[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126945890
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63184392
1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 103878001
2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82856125
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 70727057

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 126947868) is 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cnn(C2CCN(c3nc4c(cc3C#N)CCCC4)C2)c1.
What is the InChIKey of 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is PGIAUDQIVTWEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c19-8-13-10-21-24(11-13)16-5-6-23(12-16)18-15(9-20)7-14-3-1-2-4-17(14)22-18/h7,10-11,16H,1-6,12H2.
What are the key properties of 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 126947868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).