2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone

C15H20N4OS — CID 105104785

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H20N4OS/c1-2-13-15(21-18-16-13)14(20)10-11-8-9-19(17-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3
InChIKeySHRAQSBUGJLOKO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.23
Rot. Bonds5

About 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone

2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone (PubChem CID 105104785) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
PubChem CID105104785
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H20N4OS/c1-2-13-15(21-18-16-13)14(20)10-11-8-9-19(17-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3
InChIKeySHRAQSBUGJLOKO-UHFFFAOYSA-N
XLogP3.23
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone 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-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105107368
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone (CID 105104785) is 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone is CCc1nnsc1C(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The InChIKey is SHRAQSBUGJLOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-13-15(21-18-16-13)14(20)10-11-8-9-19(17-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone?
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105104785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).