2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

C15H19N3 — CID 114197792

IUPAC2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)n1nccc1C1CCc2ccccc2N1
InChIInChI=1S/C15H19N3/c1-11(2)18-15(9-10-16-18)14-8-7-12-5-3-4-6-13(12)17-14/h3-6,9-11,14,17H,7-8H2,1-2H3
InChIKeyONRFUKMBPWKYDU-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.56
Rot. Bonds2

About 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 114197792) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID114197792
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)n1nccc1C1CCc2ccccc2N1
InChIInChI=1S/C15H19N3/c1-11(2)18-15(9-10-16-18)14-8-7-12-5-3-4-6-13(12)17-14/h3-6,9-11,14,17H,7-8H2,1-2H3
InChIKeyONRFUKMBPWKYDU-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 114197792) is 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is CC(C)n1nccc1C1CCc2ccccc2N1.
What is the InChIKey of 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ONRFUKMBPWKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)18-15(9-10-16-18)14-8-7-12-5-3-4-6-13(12)17-14/h3-6,9-11,14,17H,7-8H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114197792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).