2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)

C22H32F6N6O4 — CID 155863622

IUPAC2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCN(CC)CCC1CN(Cc2cc(C)nn2C)Cc2ccnn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H30N6.2C2HF3O2/c1-5-22(6-2)10-8-17-13-23(12-16-7-9-19-24(16)17)14-18-11-15(3)20-21(18)4;2*3-2(4,5)1(6)7/h7,9,11,17H,5-6,8,10,12-14H2,1-4H3;2*(H,6,7)
InChIKeyOXKPOJJGZGICNK-UHFFFAOYSA-N
MW558.52 g/mol
LogP3.48
Rot. Bonds7

About 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)

2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155863622) has the molecular formula C22H32F6N6O4 and a molecular weight of 558.52 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155863622
Molecular FormulaC22H32F6N6O4
Molecular Weight558.52 g/mol
Exact Mass558.24
IUPAC Name2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCN(CC)CCC1CN(Cc2cc(C)nn2C)Cc2ccnn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H30N6.2C2HF3O2/c1-5-22(6-2)10-8-17-13-23(12-16-7-9-19-24(16)17)14-18-11-15(3)20-21(18)4;2*3-2(4,5)1(6)7/h7,9,11,17H,5-6,8,10,12-14H2,1-4H3;2*(H,6,7)
InChIKeyOXKPOJJGZGICNK-UHFFFAOYSA-N
XLogP3.48
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

1-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155844510
N-(3,3-difluorocyclobutyl)-2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131646485
1-[7-[2-(diethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862663
5-[(2,5-dimethylpyrazol-3-yl)methyl]-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155839991
2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155847601
2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
CID 131677517
N-[2-[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155864436
1-methyl-N-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861974
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
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-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171693397
1-[2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155844408

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) (CID 155863622) is 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) is CCN(CC)CCC1CN(Cc2cc(C)nn2C)Cc2ccnn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OXKPOJJGZGICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6.2C2HF3O2/c1-5-22(6-2)10-8-17-13-23(12-16-7-9-19-24(16)17)14-18-11-15(3)20-21(18)4;2*3-2(4,5)1(6)7/h7,9,11,17H,5-6,8,10,12-14H2,1-4H3;2*(H,6,7).
What are the key properties of 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 558.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155863622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).