4-(5-methyl-1-phenylpyrazol-4-yl)quinoline

C19H15N3 — CID 70694002

IUPAC4-(5-methyl-1-phenylpyrazol-4-yl)quinoline
SMILESCc1c(-c2ccnc3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C19H15N3/c1-14-18(13-21-22(14)15-7-3-2-4-8-15)16-11-12-20-19-10-6-5-9-17(16)19/h2-13H,1H3
InChIKeyAITBHINBCNTNCN-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds2

About 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline

4-(5-methyl-1-phenylpyrazol-4-yl)quinoline (PubChem CID 70694002) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(5-methyl-1-phenylpyrazol-4-yl)quinoline
PubChem CID70694002
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name4-(5-methyl-1-phenylpyrazol-4-yl)quinoline
SMILESCc1c(-c2ccnc3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C19H15N3/c1-14-18(13-21-22(14)15-7-3-2-4-8-15)16-11-12-20-19-10-6-5-9-17(16)19/h2-13H,1H3
InChIKeyAITBHINBCNTNCN-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline (CID 70694002) is 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline is Cc1c(-c2ccnc3ccccc23)cnn1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline?
The InChIKey is AITBHINBCNTNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-14-18(13-21-22(14)15-7-3-2-4-8-15)16-11-12-20-19-10-6-5-9-17(16)19/h2-13H,1H3.
What are the key properties of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline?
4-(5-methyl-1-phenylpyrazol-4-yl)quinoline has a molecular weight of 285.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70694002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).