1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone

C18H31N5O3 — CID 56904088

IUPAC1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone
SMILESCCN1CCN(Cc2cc3n(n2)CCN(C(=O)COCCOC)C3)CC1
InChIInChI=1S/C18H31N5O3/c1-3-20-4-6-21(7-5-20)13-16-12-17-14-22(8-9-23(17)19-16)18(24)15-26-11-10-25-2/h12H,3-11,13-15H2,1-2H3
InChIKeyDNEMMOXNTRFXMV-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.03
Rot. Bonds8

About 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone

1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 56904088) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID56904088
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone
SMILESCCN1CCN(Cc2cc3n(n2)CCN(C(=O)COCCOC)C3)CC1
InChIInChI=1S/C18H31N5O3/c1-3-20-4-6-21(7-5-20)13-16-12-17-14-22(8-9-23(17)19-16)18(24)15-26-11-10-25-2/h12H,3-11,13-15H2,1-2H3
InChIKeyDNEMMOXNTRFXMV-UHFFFAOYSA-N
XLogP0.03
TPSA63.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 139002246
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-phenylmethoxyethanone
CID 91785016
N-cyclopropyl-3-[5-(2-ethoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72845562
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70782089
2-ethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 72703429
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-[2-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 56887693
[5-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91793262
2-butoxy-1-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 50955686
ethyl 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 56911567
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-pyrrol-1-ylpropan-1-one
CID 90653919

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone (CID 56904088) is 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone is CCN1CCN(Cc2cc3n(n2)CCN(C(=O)COCCOC)C3)CC1.
What is the InChIKey of 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is DNEMMOXNTRFXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-3-20-4-6-21(7-5-20)13-16-12-17-14-22(8-9-23(17)19-16)18(24)15-26-11-10-25-2/h12H,3-11,13-15H2,1-2H3.
What are the key properties of 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone?
1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 365.48 g/mol, XLogP of 0.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 56904088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).