(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone

C17H17N3O — CID 105121799

IUPAC(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
SMILESCCc1cc(C(=O)c2cccc3cccnc23)n(CC)n1
InChIInChI=1S/C17H17N3O/c1-3-13-11-15(20(4-2)19-13)17(21)14-9-5-7-12-8-6-10-18-16(12)14/h5-11H,3-4H2,1-2H3
InChIKeyCBWVTSMLYCQWRX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone

(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone (PubChem CID 105121799) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
PubChem CID105121799
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
SMILESCCc1cc(C(=O)c2cccc3cccnc23)n(CC)n1
InChIInChI=1S/C17H17N3O/c1-3-13-11-15(20(4-2)19-13)17(21)14-9-5-7-12-8-6-10-18-16(12)14/h5-11H,3-4H2,1-2H3
InChIKeyCBWVTSMLYCQWRX-UHFFFAOYSA-N
XLogP3.24
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone
CID 102035670
(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
CID 105096952
palladium;quinoline-8-carboxylic acid
CID 174945118
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone (CID 105121799) is (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone is CCc1cc(C(=O)c2cccc3cccnc23)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone?
The InChIKey is CBWVTSMLYCQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-13-11-15(20(4-2)19-13)17(21)14-9-5-7-12-8-6-10-18-16(12)14/h5-11H,3-4H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone?
(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone has a molecular weight of 279.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 105121799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).