2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid

C21H27F3N4O3S — CID 155825289

IUPAC2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CN(C2CCCC2)Cc2ccnn21)NCCc1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4OS.C2HF3O2/c24-19(20-9-8-18-6-3-11-25-18)12-17-14-22(15-4-1-2-5-15)13-16-7-10-21-23(16)17;3-2(4,5)1(6)7/h3,6-7,10-11,15,17H,1-2,4-5,8-9,12-14H2,(H,20,24);(H,6,7)
InChIKeyWRHGMWNSSANKDV-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.63
Rot. Bonds6

About 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid

2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155825289) has the molecular formula C21H27F3N4O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID155825289
Molecular FormulaC21H27F3N4O3S
Molecular Weight472.53 g/mol
Exact Mass472.18
IUPAC Name2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CN(C2CCCC2)Cc2ccnn21)NCCc1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4OS.C2HF3O2/c24-19(20-9-8-18-6-3-11-25-18)12-17-14-22(15-4-1-2-5-15)13-16-7-10-21-23(16)17;3-2(4,5)1(6)7/h3,6-7,10-11,15,17H,1-2,4-5,8-9,12-14H2,(H,20,24);(H,6,7)
InChIKeyWRHGMWNSSANKDV-UHFFFAOYSA-N
XLogP3.63
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
N-{2-[3-(2-thienyl)-1-pyrazolyl]ethyl}-(S)-1-(p-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 97417284
N-cyclopentyl-2-(thiophen-2-yl)-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}acetamide
CID 121020229
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 136563776
2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 164637055
(7R)-5-(4-methylpentanoyl)-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 129512122
(7S)-5-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 129512134
2-[(7R)-5-[(1S,2R)-2-methylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 129542270
N-[2-[(7R)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclobutanecarboxamide
CID 129557920
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47098770
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
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 49056863

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid (CID 155825289) is 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CN(C2CCCC2)Cc2ccnn21)NCCc1cccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WRHGMWNSSANKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.C2HF3O2/c24-19(20-9-8-18-6-3-11-25-18)12-17-14-22(15-4-1-2-5-15)13-16-7-10-21-23(16)17;3-2(4,5)1(6)7/h3,6-7,10-11,15,17H,1-2,4-5,8-9,12-14H2,(H,20,24);(H,6,7).
What are the key properties of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?
2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).