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

C16H23N3O3 — CID 90650070

IUPAC1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCCCc1ccc(CN2CCn3nc(C(O)CO)cc3C2)o1
InChIInChI=1S/C16H23N3O3/c1-2-3-13-4-5-14(22-13)10-18-6-7-19-12(9-18)8-15(17-19)16(21)11-20/h4-5,8,16,20-21H,2-3,6-7,9-11H2,1H3
InChIKeyYPFKEIFZSXNMKS-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.47
Rot. Bonds6

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

1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 90650070) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
PubChem CID90650070
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCCCc1ccc(CN2CCn3nc(C(O)CO)cc3C2)o1
InChIInChI=1S/C16H23N3O3/c1-2-3-13-4-5-14(22-13)10-18-6-7-19-12(9-18)8-15(17-19)16(21)11-20/h4-5,8,16,20-21H,2-3,6-7,9-11H2,1H3
InChIKeyYPFKEIFZSXNMKS-UHFFFAOYSA-N
XLogP1.47
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-1-[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91790594
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
N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 99971957
1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 90651610
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648479
1-[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650107
(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
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
(1R)-1-[5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 99998546
1,1-dimethyl-3-[[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70720932
4-[[2-(1,2-dihydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136665005
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (CID 90650070) is 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is CCCc1ccc(CN2CCn3nc(C(O)CO)cc3C2)o1.
What is the InChIKey of 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is YPFKEIFZSXNMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-3-13-4-5-14(22-13)10-18-6-7-19-12(9-18)8-15(17-19)16(21)11-20/h4-5,8,16,20-21H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 305.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 90650070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).