6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline

C16H21N3 — CID 121382795

IUPAC6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCc1cc(-c2ccc3c(c2)CCCN3C(C)C)n[nH]1
InChIInChI=1S/C16H21N3/c1-11(2)19-8-4-5-14-10-13(6-7-16(14)19)15-9-12(3)17-18-15/h6-7,9-11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyIJKYENLFGWVAAN-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.55
Rot. Bonds2

About 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline

6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 121382795) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID121382795
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCc1cc(-c2ccc3c(c2)CCCN3C(C)C)n[nH]1
InChIInChI=1S/C16H21N3/c1-11(2)19-8-4-5-14-10-13(6-7-16(14)19)15-9-12(3)17-18-15/h6-7,9-11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyIJKYENLFGWVAAN-UHFFFAOYSA-N
XLogP3.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 121382795) is 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is Cc1cc(-c2ccc3c(c2)CCCN3C(C)C)n[nH]1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is IJKYENLFGWVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)19-8-4-5-14-10-13(6-7-16(14)19)15-9-12(3)17-18-15/h6-7,9-11H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 255.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121382795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).