N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide

C18H19N5OS — CID 9203863

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H19N5OS/c24-17(22-16-9-10-21-23(16)13-5-1-2-6-13)11-25-18-14-7-3-4-8-15(14)19-12-20-18/h3-4,7-10,12-13H,1-2,5-6,11H2,(H,22,24)
InChIKeyDGVRIWSKPUPMTQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.67
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide

N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 9203863) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID9203863
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H19N5OS/c24-17(22-16-9-10-21-23(16)13-5-1-2-6-13)11-25-18-14-7-3-4-8-15(14)19-12-20-18/h3-4,7-10,12-13H,1-2,5-6,11H2,(H,22,24)
InChIKeyDGVRIWSKPUPMTQ-UHFFFAOYSA-N
XLogP3.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 31274039
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
N-(2-cyclopentylpyrazol-3-yl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 16544717
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78778300
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(2-cyclopentylpyrazol-3-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55571044

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide (CID 9203863) is N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is DGVRIWSKPUPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(22-16-9-10-21-23(16)13-5-1-2-6-13)11-25-18-14-7-3-4-8-15(14)19-12-20-18/h3-4,7-10,12-13H,1-2,5-6,11H2,(H,22,24).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 9203863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).