(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone

C16H15N3O — CID 105083333

IUPAC(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(C)nc3ccccc23)cn1
InChIInChI=1S/C16H15N3O/c1-3-19-10-12(9-17-19)16(20)14-8-11(2)18-15-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3
InChIKeyREQJHAZZRDRENV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.99
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone

(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone (PubChem CID 105083333) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
PubChem CID105083333
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(C)nc3ccccc23)cn1
InChIInChI=1S/C16H15N3O/c1-3-19-10-12(9-17-19)16(20)14-8-11(2)18-15-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3
InChIKeyREQJHAZZRDRENV-UHFFFAOYSA-N
XLogP2.99
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
CID 105095171
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
(2-chloro-4-methylphenyl)-(1-ethylpyrazol-4-yl)methanone
CID 106864825
(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
CID 105132581
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone (CID 105083333) is (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone is CCn1cc(C(=O)c2cc(C)nc3ccccc23)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is REQJHAZZRDRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-19-10-12(9-17-19)16(20)14-8-11(2)18-15-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone?
(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 105083333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).