2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C20H28N4O3 — CID 118770602

IUPAC2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC)c(C)c1C)C2
InChIInChI=1S/C20H28N4O3/c1-14-15(2)19(27-4)6-5-16(14)11-23-7-8-24-18(12-23)9-17(22-24)10-21-20(25)13-26-3/h5-6,9H,7-8,10-13H2,1-4H3,(H,21,25)
InChIKeyVRQMKFCFTWCKAI-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.79
Rot. Bonds7

About 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 118770602) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID118770602
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC)c(C)c1C)C2
InChIInChI=1S/C20H28N4O3/c1-14-15(2)19(27-4)6-5-16(14)11-23-7-8-24-18(12-23)9-17(22-24)10-21-20(25)13-26-3/h5-6,9H,7-8,10-13H2,1-4H3,(H,21,25)
InChIKeyVRQMKFCFTWCKAI-UHFFFAOYSA-N
XLogP1.79
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[(3-ethoxy-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118767723
2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 118792176
N-[[5-[(2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792861
N-[[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
CID 70731439
N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
CID 72922009
N-[[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121495415
N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118770884
N-[[5-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118772109
3-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 70714349
2-methoxy-N-[[5-[(3R)-1-phenylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 126440471
N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118787439
N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 118770602) is 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is COCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC)c(C)c1C)C2.
What is the InChIKey of 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is VRQMKFCFTWCKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-15(2)19(27-4)6-5-16(14)11-23-7-8-24-18(12-23)9-17(22-24)10-21-20(25)13-26-3/h5-6,9H,7-8,10-13H2,1-4H3,(H,21,25).
What are the key properties of 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 118770602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).