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

C21H27F3N4O5 — CID 155843594

IUPAC2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1CN1Cc2ccnn2C(COCC(=O)N(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O3.C2HF3O2/c1-21(2)19(24)14-26-13-17-12-22(11-16-8-9-20-23(16)17)10-15-6-4-5-7-18(15)25-3;3-2(4,5)1(6)7/h4-9,17H,10-14H2,1-3H3;(H,6,7)
InChIKeyPLQBBYBDQHNWMJ-UHFFFAOYSA-N
MW472.46 g/mol
LogP2.19
Rot. Bonds7

About 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

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 (PubChem CID 155843594) has the molecular formula C21H27F3N4O5 and a molecular weight of 472.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155843594
Molecular FormulaC21H27F3N4O5
Molecular Weight472.46 g/mol
Exact Mass472.19
IUPAC Name2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1CN1Cc2ccnn2C(COCC(=O)N(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O3.C2HF3O2/c1-21(2)19(24)14-26-13-17-12-22(11-16-8-9-20-23(16)17)10-15-6-4-5-7-18(15)25-3;3-2(4,5)1(6)7/h4-9,17H,10-14H2,1-3H3;(H,6,7)
InChIKeyPLQBBYBDQHNWMJ-UHFFFAOYSA-N
XLogP2.19
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[[(7S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide
CID 124804983
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
2-[[5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 171693209
N-(3,3-difluorocyclobutyl)-5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133136590
2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 167981380
(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124809749
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
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
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
(3aR,6aR)-5-[(2-methoxyphenyl)methyl]-3a-(pyridin-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 127023216
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

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]methoxy]-N,N-dimethylacetamide;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]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 155843594) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1CN1Cc2ccnn2C(COCC(=O)N(C)C)C1.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]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PLQBBYBDQHNWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.C2HF3O2/c1-21(2)19(24)14-26-13-17-12-22(11-16-8-9-20-23(16)17)10-15-6-4-5-7-18(15)25-3;3-2(4,5)1(6)7/h4-9,17H,10-14H2,1-3H3;(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]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
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 has a molecular weight of 472.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).