5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide

C15H18N4S — CID 63757894

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCCc3ccccc32)c1C(N)=S
InChIInChI=1S/C15H18N4S/c1-10-13(14(16)20)15(18(2)17-10)19-9-5-7-11-6-3-4-8-12(11)19/h3-4,6,8H,5,7,9H2,1-2H3,(H2,16,20)
InChIKeyLMFMBZIJNWCGPY-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.45
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide

5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide (PubChem CID 63757894) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
PubChem CID63757894
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCCc3ccccc32)c1C(N)=S
InChIInChI=1S/C15H18N4S/c1-10-13(14(16)20)15(18(2)17-10)19-9-5-7-11-6-3-4-8-12(11)19/h3-4,6,8H,5,7,9H2,1-2H3,(H2,16,20)
InChIKeyLMFMBZIJNWCGPY-UHFFFAOYSA-N
XLogP2.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122264
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751129
1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
CID 63535828
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
4-(3,4-dihydro-2H-quinolin-1-yl)-2,3-difluorobenzenecarbothioamide
CID 107934465
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757196
5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 103496179
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502673

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide (CID 63757894) is 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide is Cc1nn(C)c(N2CCCc3ccccc32)c1C(N)=S.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The InChIKey is LMFMBZIJNWCGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-13(14(16)20)15(18(2)17-10)19-9-5-7-11-6-3-4-8-12(11)19/h3-4,6,8H,5,7,9H2,1-2H3,(H2,16,20).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide has a molecular weight of 286.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide is sourced from PubChem (CID 63757894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).