4-(4-ethyl-3-methylpyrazol-1-yl)quinoline

C15H15N3 — CID 139907310

IUPAC4-(4-ethyl-3-methylpyrazol-1-yl)quinoline
SMILESCCc1cn(-c2ccnc3ccccc23)nc1C
InChIInChI=1S/C15H15N3/c1-3-12-10-18(17-11(12)2)15-8-9-16-14-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3
InChIKeySQQDQFAQEHBCFP-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.29
Rot. Bonds2

About 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline

4-(4-ethyl-3-methylpyrazol-1-yl)quinoline (PubChem CID 139907310) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpyrazol-1-yl)quinoline
PubChem CID139907310
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(4-ethyl-3-methylpyrazol-1-yl)quinoline
SMILESCCc1cn(-c2ccnc3ccccc23)nc1C
InChIInChI=1S/C15H15N3/c1-3-12-10-18(17-11(12)2)15-8-9-16-14-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3
InChIKeySQQDQFAQEHBCFP-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline?
The IUPAC name of 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline (CID 139907310) is 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline.
What is the SMILES notation for 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline?
The canonical SMILES for 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline is CCc1cn(-c2ccnc3ccccc23)nc1C.
What is the InChIKey of 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline?
The InChIKey is SQQDQFAQEHBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-12-10-18(17-11(12)2)15-8-9-16-14-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3.
What are the key properties of 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline?
4-(4-ethyl-3-methylpyrazol-1-yl)quinoline has a molecular weight of 237.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpyrazol-1-yl)quinoline is sourced from PubChem (CID 139907310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).