1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

C22H26N4O2 — CID 90648479

IUPAC1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCN(c1ccccc1)c1ccc(CN2CCn3nc(C(O)CO)cc3C2)cc1
InChIInChI=1S/C22H26N4O2/c1-24(18-5-3-2-4-6-18)19-9-7-17(8-10-19)14-25-11-12-26-20(15-25)13-21(23-26)22(28)16-27/h2-10,13,22,27-28H,11-12,14-16H2,1H3
InChIKeyZAPWRQIUQIJTFX-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.69
Rot. Bonds6

About 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 90648479) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
PubChem CID90648479
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCN(c1ccccc1)c1ccc(CN2CCn3nc(C(O)CO)cc3C2)cc1
InChIInChI=1S/C22H26N4O2/c1-24(18-5-3-2-4-6-18)19-9-7-17(8-10-19)14-25-11-12-26-20(15-25)13-21(23-26)22(28)16-27/h2-10,13,22,27-28H,11-12,14-16H2,1H3
InChIKeyZAPWRQIUQIJTFX-UHFFFAOYSA-N
XLogP2.69
TPSA64.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
CID 90653864
1-[5-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90652099
1-[5-[[4-(furan-2-yl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90648291
1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650070
1-[5-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648602
1-[5-(2,2-diphenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90653195
(1R)-1-[5-[(1-benzylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99974613
3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91779057
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
1-[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650107
5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
CID 91766747
(1R)-1-[5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 99973144

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (CID 90648479) is 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is CN(c1ccccc1)c1ccc(CN2CCn3nc(C(O)CO)cc3C2)cc1.
What is the InChIKey of 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is ZAPWRQIUQIJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24(18-5-3-2-4-6-18)19-9-7-17(8-10-19)14-25-11-12-26-20(15-25)13-21(23-26)22(28)16-27/h2-10,13,22,27-28H,11-12,14-16H2,1H3.
What are the key properties of 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 378.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 90648479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).