1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile

C13H14N4 — CID 135393618

IUPAC1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile
SMILESN#CC1CC2=C(C=CCC2)N(c2ccn[nH]2)C1
InChIInChI=1S/C13H14N4/c14-8-10-7-11-3-1-2-4-12(11)17(9-10)13-5-6-15-16-13/h2,4-6,10H,1,3,7,9H2,(H,15,16)
InChIKeyIHMMRVJHWZRGBP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.36
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile

1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile (PubChem CID 135393618) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile
PubChem CID135393618
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile
SMILESN#CC1CC2=C(C=CCC2)N(c2ccn[nH]2)C1
InChIInChI=1S/C13H14N4/c14-8-10-7-11-3-1-2-4-12(11)17(9-10)13-5-6-15-16-13/h2,4-6,10H,1,3,7,9H2,(H,15,16)
InChIKeyIHMMRVJHWZRGBP-UHFFFAOYSA-N
XLogP2.36
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine
CID 175825076
3-[5-chloro-4-methylidene-3-(1H-pyrazol-5-yl)-6,7-dihydroquinazolin-2-yl]propanenitrile
CID 139564547
4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-[2-(dimethylamino)ethyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 142860089
N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane
CID 142876584
N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine
CID 142876585
(10R,20R)-10-methyl-20-(1H-pyrazol-5-ylamino)-1-azatetracyclo[16.4.1.02,8.011,17]tricosa-2(8),3,6,11(17),12,14-hexaene-6-carbonitrile
CID 178045282

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile?
The IUPAC name of 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile (CID 135393618) is 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile is N#CC1CC2=C(C=CCC2)N(c2ccn[nH]2)C1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile?
The InChIKey is IHMMRVJHWZRGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-8-10-7-11-3-1-2-4-12(11)17(9-10)13-5-6-15-16-13/h2,4-6,10H,1,3,7,9H2,(H,15,16).
What are the key properties of 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile?
1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-3,4,5,6-tetrahydro-2H-quinoline-3-carbonitrile is sourced from PubChem (CID 135393618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).