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

C23H24N4O3 — CID 121496818

IUPACN-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc(Oc3cccc(C)c3)cc1)C2
InChIInChI=1S/C23H24N4O3/c1-16-4-3-5-22(12-16)30-21-8-6-18(7-9-21)23(29)26-10-11-27-20(15-26)13-19(25-27)14-24-17(2)28/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,28)
InChIKeyBDPPNAMVGZDKGR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.28
Rot. Bonds5

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

N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 121496818) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID121496818
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc(Oc3cccc(C)c3)cc1)C2
InChIInChI=1S/C23H24N4O3/c1-16-4-3-5-22(12-16)30-21-8-6-18(7-9-21)23(29)26-10-11-27-20(15-26)13-19(25-27)14-24-17(2)28/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,28)
InChIKeyBDPPNAMVGZDKGR-UHFFFAOYSA-N
XLogP3.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
CID 74233678
N-[[5-[(3-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70708160
ethane;(4-fluorophenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 144757824
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
N-[[5-[[4-(difluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70745275
N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 121496094
N-[[5-[(4-propoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70769683
N,N-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70758361
[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
CID 118065767
N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 126426514
4-methoxy-3-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118767725
N-[[5-[[5-(4-methylphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70767352

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 121496818) is N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc(Oc3cccc(C)c3)cc1)C2.
What is the InChIKey of N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is BDPPNAMVGZDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-4-3-5-22(12-16)30-21-8-6-18(7-9-21)23(29)26-10-11-27-20(15-26)13-19(25-27)14-24-17(2)28/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 121496818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).