2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide

C18H24F2N4OS — CID 48657521

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(C)N1CCc2sccc2C1
InChIInChI=1S/C18H24F2N4OS/c1-11(23-6-4-16-14(10-23)5-7-26-16)9-21-17(25)8-15-12(2)22-24(13(15)3)18(19)20/h5,7,11,18H,4,6,8-10H2,1-3H3,(H,21,25)
InChIKeyYSVNQDOCBJFEKV-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.06
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide (PubChem CID 48657521) has the molecular formula C18H24F2N4OS and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
PubChem CID48657521
Molecular FormulaC18H24F2N4OS
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(C)N1CCc2sccc2C1
InChIInChI=1S/C18H24F2N4OS/c1-11(23-6-4-16-14(10-23)5-7-26-16)9-21-17(25)8-15-12(2)22-24(13(15)3)18(19)20/h5,7,11,18H,4,6,8-10H2,1-3H3,(H,21,25)
InChIKeyYSVNQDOCBJFEKV-UHFFFAOYSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide (CID 48657521) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCC(C)N1CCc2sccc2C1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide?
The InChIKey is YSVNQDOCBJFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4OS/c1-11(23-6-4-16-14(10-23)5-7-26-16)9-21-17(25)8-15-12(2)22-24(13(15)3)18(19)20/h5,7,11,18H,4,6,8-10H2,1-3H3,(H,21,25).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide has a molecular weight of 382.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide is sourced from PubChem (CID 48657521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).