3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline

C22H21N3 — CID 173199509

IUPAC3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline
SMILESCCc1ccc(-n2nc(C)c(-c3cnc4ccccc4c3)c2C)cc1
InChIInChI=1S/C22H21N3/c1-4-17-9-11-20(12-10-17)25-16(3)22(15(2)24-25)19-13-18-7-5-6-8-21(18)23-14-19/h5-14H,4H2,1-3H3
InChIKeyKVTLFSJKHZFNEU-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.27
Rot. Bonds3

About 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline

3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline (PubChem CID 173199509) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline
PubChem CID173199509
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline
SMILESCCc1ccc(-n2nc(C)c(-c3cnc4ccccc4c3)c2C)cc1
InChIInChI=1S/C22H21N3/c1-4-17-9-11-20(12-10-17)25-16(3)22(15(2)24-25)19-13-18-7-5-6-8-21(18)23-14-19/h5-14H,4H2,1-3H3
InChIKeyKVTLFSJKHZFNEU-UHFFFAOYSA-N
XLogP5.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline 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-ethylnaphthalene;3-methylquinoline
CID 143066870
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
3-ethyl-5-quinolin-3-ylbenzaldehyde
CID 144776788
3-anthracen-9-ylquinoline
CID 170654314
3-ethylquinoline;quinoline
CID 174966721
dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane
CID 174915040
3-methylquinoline;pentane
CID 145470784
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine
CID 11419504
3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
CID 70792067
2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol
CID 22244631

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline?
The IUPAC name of 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline (CID 173199509) is 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline.
What is the SMILES notation for 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline?
The canonical SMILES for 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline is CCc1ccc(-n2nc(C)c(-c3cnc4ccccc4c3)c2C)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline?
The InChIKey is KVTLFSJKHZFNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-4-17-9-11-20(12-10-17)25-16(3)22(15(2)24-25)19-13-18-7-5-6-8-21(18)23-14-19/h5-14H,4H2,1-3H3.
What are the key properties of 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline?
3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline has a molecular weight of 327.43 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline is sourced from PubChem (CID 173199509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).