N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

C17H22N4O5 — CID 72838255

IUPACN-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCn3nc(CCC(=O)NCCO)cc3C2)o1
InChIInChI=1S/C17H22N4O5/c1-25-16-5-3-14(26-16)17(24)20-7-8-21-13(11-20)10-12(19-21)2-4-15(23)18-6-9-22/h3,5,10,22H,2,4,6-9,11H2,1H3,(H,18,23)
InChIKeyXDQBCXBKNIYRCC-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.18
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 72838255) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID72838255
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCn3nc(CCC(=O)NCCO)cc3C2)o1
InChIInChI=1S/C17H22N4O5/c1-25-16-5-3-14(26-16)17(24)20-7-8-21-13(11-20)10-12(19-21)2-4-15(23)18-6-9-22/h3,5,10,22H,2,4,6-9,11H2,1H3,(H,18,23)
InChIKeyXDQBCXBKNIYRCC-UHFFFAOYSA-N
XLogP0.18
TPSA109.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72863618
3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide
CID 72924836
[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methoxyfuran-2-yl)methanone
CID 91779608
3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56888003
N-cyclopropyl-3-[5-(2-ethoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72845562
N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499874
3-[5-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56902134
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 72853233
3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide
CID 72856640
methyl 2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetate
CID 70713889
3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95714424
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 90653167

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (CID 72838255) is N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is COc1ccc(C(=O)N2CCn3nc(CCC(=O)NCCO)cc3C2)o1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is XDQBCXBKNIYRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-25-16-5-3-14(26-16)17(24)20-7-8-21-13(11-20)10-12(19-21)2-4-15(23)18-6-9-22/h3,5,10,22H,2,4,6-9,11H2,1H3,(H,18,23).
What are the key properties of N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 362.39 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-(5-methoxyfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 72838255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).