2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid

C19H23F3N4O4 — CID 155860751

IUPAC2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CC1CN(Cc2ccccc2OC)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O2.C2HF3O2/c1-18-17(22)9-15-12-20(11-14-7-8-19-21(14)15)10-13-5-3-4-6-16(13)23-2;3-2(4,5)1(6)7/h3-8,15H,9-12H2,1-2H3,(H,18,22);(H,6,7)
InChIKeyIXWIALQLJYHAEC-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.22
Rot. Bonds5

About 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid

2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155860751) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155860751
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CC1CN(Cc2ccccc2OC)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O2.C2HF3O2/c1-18-17(22)9-15-12-20(11-14-7-8-19-21(14)15)10-13-5-3-4-6-16(13)23-2;3-2(4,5)1(6)7/h3-8,15H,9-12H2,1-2H3,(H,18,22);(H,6,7)
InChIKeyIXWIALQLJYHAEC-UHFFFAOYSA-N
XLogP2.22
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155863599
N-methyl-2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171694951
2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843594
2-[5-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155861975
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747
N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171693397
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
2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
CID 124799431
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523
N-(3,3-difluorocyclobutyl)-5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133136590
(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124809749
N-methyl-2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677897

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid (CID 155860751) is 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid is CNC(=O)CC1CN(Cc2ccccc2OC)Cc2ccnn21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is IXWIALQLJYHAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.C2HF3O2/c1-18-17(22)9-15-12-20(11-14-7-8-19-21(14)15)10-13-5-3-4-6-16(13)23-2;3-2(4,5)1(6)7/h3-8,15H,9-12H2,1-2H3,(H,18,22);(H,6,7).
What are the key properties of 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid?
2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 428.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).