N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide

C18H24N4OS — CID 24596316

IUPACN-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESO=C(CCN1CCc2sccc2C1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H24N4OS/c23-18(7-11-21-10-6-16-14(13-21)8-12-24-16)20-17-5-9-19-22(17)15-3-1-2-4-15/h5,8-9,12,15H,1-4,6-7,10-11,13H2,(H,20,23)
InChIKeyIQZLKWHDCMUHDO-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.45
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide

N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (PubChem CID 24596316) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
PubChem CID24596316
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESO=C(CCN1CCc2sccc2C1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H24N4OS/c23-18(7-11-21-10-6-16-14(13-21)8-12-24-16)20-17-5-9-19-22(17)15-3-1-2-4-15/h5,8-9,12,15H,1-4,6-7,10-11,13H2,(H,20,23)
InChIKeyIQZLKWHDCMUHDO-UHFFFAOYSA-N
XLogP3.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (CID 24596316) is N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is O=C(CCN1CCc2sccc2C1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The InChIKey is IQZLKWHDCMUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(7-11-21-10-6-16-14(13-21)8-12-24-16)20-17-5-9-19-22(17)15-3-1-2-4-15/h5,8-9,12,15H,1-4,6-7,10-11,13H2,(H,20,23).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide has a molecular weight of 344.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 24596316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).