2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C15H20N4OS — CID 105107368

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H20N4OS/c1-10(2)14-15(21-18-16-14)13(20)9-11-7-8-19(17-11)12-5-3-4-6-12/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyPTRLBYURQUCQIP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.40
Rot. Bonds5

About 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105107368) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105107368
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H20N4OS/c1-10(2)14-15(21-18-16-14)13(20)9-11-7-8-19(17-11)12-5-3-4-6-12/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyPTRLBYURQUCQIP-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105107368) is 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is CC(C)c1nnsc1C(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is PTRLBYURQUCQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)14-15(21-18-16-14)13(20)9-11-7-8-19(17-11)12-5-3-4-6-12/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105107368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).