(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone

C15H13N3O — CID 81221022

IUPAC(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3ccn(C)n3)ccc2n1
InChIInChI=1S/C15H13N3O/c1-10-3-4-11-9-12(5-6-13(11)16-10)15(19)14-7-8-18(2)17-14/h3-9H,1-2H3
InChIKeyYOOSHFNIBHTLMU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.51
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone

(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone (PubChem CID 81221022) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
PubChem CID81221022
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3ccn(C)n3)ccc2n1
InChIInChI=1S/C15H13N3O/c1-10-3-4-11-9-12(5-6-13(11)16-10)15(19)14-7-8-18(2)17-14/h3-9H,1-2H3
InChIKeyYOOSHFNIBHTLMU-UHFFFAOYSA-N
XLogP2.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone (CID 81221022) is (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)c3ccn(C)n3)ccc2n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is YOOSHFNIBHTLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-3-4-11-9-12(5-6-13(11)16-10)15(19)14-7-8-18(2)17-14/h3-9H,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone?
(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 81221022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).