5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

C21H20F4N4O3S — CID 155844137

IUPAC5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cccs1)C1CN(Cc2cccc(F)c2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19FN4OS.C2HF3O2/c20-15-4-1-3-14(9-15)11-23-12-16-6-7-22-24(16)18(13-23)19(25)21-10-17-5-2-8-26-17;3-2(4,5)1(6)7/h1-9,18H,10-13H2,(H,21,25);(H,6,7)
InChIKeyQHDDWESCKOFPIP-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.59
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155844137) has the molecular formula C21H20F4N4O3S and a molecular weight of 484.48 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155844137
Molecular FormulaC21H20F4N4O3S
Molecular Weight484.48 g/mol
Exact Mass484.12
IUPAC Name5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cccs1)C1CN(Cc2cccc(F)c2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19FN4OS.C2HF3O2/c20-15-4-1-3-14(9-15)11-23-12-16-6-7-22-24(16)18(13-23)19(25)21-10-17-5-2-8-26-17;3-2(4,5)1(6)7/h1-9,18H,10-13H2,(H,21,25);(H,6,7)
InChIKeyQHDDWESCKOFPIP-UHFFFAOYSA-N
XLogP3.59
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131639422
2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(thiophen-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155862286
7-(cyclopropylmethoxymethyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155828028
2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
CID 131678185
N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863814
2-[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155861561
5-(3-methylbutanoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155860095
5-(3-hydroxybenzoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863575
N-[[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865427
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155826204
2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155854390
5-[(3,4-difluorophenyl)methyl]-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830242

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155844137) is 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCc1cccs1)C1CN(Cc2cccc(F)c2)Cc2ccnn21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QHDDWESCKOFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS.C2HF3O2/c20-15-4-1-3-14(9-15)11-23-12-16-6-7-22-24(16)18(13-23)19(25)21-10-17-5-2-8-26-17;3-2(4,5)1(6)7/h1-9,18H,10-13H2,(H,21,25);(H,6,7).
What are the key properties of 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).