4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline

C16H17N3 — CID 10800759

IUPAC4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline
SMILESCc1cc(-n2nccc2C(C)C)nc2ccccc12
InChIInChI=1S/C16H17N3/c1-11(2)15-8-9-17-19(15)16-10-12(3)13-6-4-5-7-14(13)18-16/h4-11H,1-3H3
InChIKeyOSAPZXLQVLMHKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.85
Rot. Bonds2

About 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline

4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline (PubChem CID 10800759) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline
PubChem CID10800759
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline
SMILESCc1cc(-n2nccc2C(C)C)nc2ccccc12
InChIInChI=1S/C16H17N3/c1-11(2)15-8-9-17-19(15)16-10-12(3)13-6-4-5-7-14(13)18-16/h4-11H,1-3H3
InChIKeyOSAPZXLQVLMHKK-UHFFFAOYSA-N
XLogP3.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline?
The IUPAC name of 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline (CID 10800759) is 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline.
What is the SMILES notation for 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline?
The canonical SMILES for 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline is Cc1cc(-n2nccc2C(C)C)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline?
The InChIKey is OSAPZXLQVLMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(2)15-8-9-17-19(15)16-10-12(3)13-6-4-5-7-14(13)18-16/h4-11H,1-3H3.
What are the key properties of 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline?
4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline has a molecular weight of 251.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline is sourced from PubChem (CID 10800759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).