isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

C16H15N3O — CID 103133944

IUPACisoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)c1cccc2ccncc12
InChIInChI=1S/C16H15N3O/c1-10-15(11(2)19(3)18-10)16(20)13-6-4-5-12-7-8-17-9-14(12)13/h4-9H,1-3H3
InChIKeyMJDZJJGYGGNBMF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.82
Rot. Bonds2

About isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 103133944) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID103133944
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Nameisoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)c1cccc2ccncc12
InChIInChI=1S/C16H15N3O/c1-10-15(11(2)19(3)18-10)16(20)13-6-4-5-12-7-8-17-9-14(12)13/h4-9H,1-3H3
InChIKeyMJDZJJGYGGNBMF-UHFFFAOYSA-N
XLogP2.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 103133944) is isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is MJDZJJGYGGNBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-15(11(2)19(3)18-10)16(20)13-6-4-5-12-7-8-17-9-14(12)13/h4-9H,1-3H3.
What are the key properties of isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 103133944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).