cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C20H27N3O2 — CID 91780698

IUPACcyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1ccc(OCCN2CCn3nc(C(O)C4CC4)cc3C2)cc1C
InChIInChI=1S/C20H27N3O2/c1-14-3-6-18(11-15(14)2)25-10-9-22-7-8-23-17(13-22)12-19(21-23)20(24)16-4-5-16/h3,6,11-12,16,20,24H,4-5,7-10,13H2,1-2H3
InChIKeyMWDQSXHTTIJGMF-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.84
Rot. Bonds6

About cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91780698) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91780698
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Namecyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1ccc(OCCN2CCn3nc(C(O)C4CC4)cc3C2)cc1C
InChIInChI=1S/C20H27N3O2/c1-14-3-6-18(11-15(14)2)25-10-9-22-7-8-23-17(13-22)12-19(21-23)20(24)16-4-5-16/h3,6,11-12,16,20,24H,4-5,7-10,13H2,1-2H3
InChIKeyMWDQSXHTTIJGMF-UHFFFAOYSA-N
XLogP2.84
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol with MolForge

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Related Compounds

[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91787215
cyclopropyl-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90649770
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614
1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835
(2R)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7424688
1-[2-(3,4-dimethylphenoxy)ethoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 18590108
1-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 91766548
1-[3-(3,4-dimethylphenoxy)propyl]pyrrolidine-3,4-diol
CID 106672455
4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile
CID 124680038
(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124751770
1-[5-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91796587

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91780698) is cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cc1ccc(OCCN2CCn3nc(C(O)C4CC4)cc3C2)cc1C.
What is the InChIKey of cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is MWDQSXHTTIJGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-3-6-18(11-15(14)2)25-10-9-22-7-8-23-17(13-22)12-19(21-23)20(24)16-4-5-16/h3,6,11-12,16,20,24H,4-5,7-10,13H2,1-2H3.
What are the key properties of cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 341.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91780698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).