2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline

C16H17N3 — CID 167447426

IUPAC2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C16H17N3/c1-11(2)13-5-4-12-6-7-15(18-16(12)8-13)14-9-17-19(3)10-14/h4-11H,1-3H3
InChIKeyWXZLEQJDSGAXTN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.76
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline

2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline (PubChem CID 167447426) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
PubChem CID167447426
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C16H17N3/c1-11(2)13-5-4-12-6-7-15(18-16(12)8-13)14-9-17-19(3)10-14/h4-11H,1-3H3
InChIKeyWXZLEQJDSGAXTN-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline (CID 167447426) is 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline is CC(C)c1ccc2ccc(-c3cnn(C)c3)nc2c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline?
The InChIKey is WXZLEQJDSGAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(2)13-5-4-12-6-7-15(18-16(12)8-13)14-9-17-19(3)10-14/h4-11H,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline?
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline has a molecular weight of 251.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline is sourced from PubChem (CID 167447426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).