7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline

C17H19N3O — CID 70834962

IUPAC7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline
SMILESCc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13-14(10-12)19-16(20-9-5-8-18-20)11-15(13)21-17(2,3)4/h5-11H,1-4H3
InChIKeyBHZZFVLWCSJNJI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.91
Rot. Bonds2

About 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline

7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline (PubChem CID 70834962) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline
PubChem CID70834962
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline
SMILESCc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13-14(10-12)19-16(20-9-5-8-18-20)11-15(13)21-17(2,3)4/h5-11H,1-4H3
InChIKeyBHZZFVLWCSJNJI-UHFFFAOYSA-N
XLogP3.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?
The IUPAC name of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline (CID 70834962) is 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline.
What is the SMILES notation for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?
The canonical SMILES for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline is Cc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1.
What is the InChIKey of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?
The InChIKey is BHZZFVLWCSJNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-7-13-14(10-12)19-16(20-9-5-8-18-20)11-15(13)21-17(2,3)4/h5-11H,1-4H3.
What are the key properties of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?
7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline has a molecular weight of 281.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline is sourced from PubChem (CID 70834962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).