[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol

C21H25N3O2 — CID 148949958

IUPAC[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol
SMILESCc1ccc(-n2nc(N3CCOC(CO)C3)c3c2=CCCC=CC=3)cc1
InChIInChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)24-20-7-5-3-2-4-6-19(20)21(22-24)23-12-13-26-18(14-23)15-25/h2,4,6-11,18,25H,3,5,12-15H2,1H3
InChIKeyPPQUMMGADMEJKF-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.29
Rot. Bonds3

About [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol

[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol (PubChem CID 148949958) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol
PubChem CID148949958
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol
SMILESCc1ccc(-n2nc(N3CCOC(CO)C3)c3c2=CCCC=CC=3)cc1
InChIInChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)24-20-7-5-3-2-4-6-19(20)21(22-24)23-12-13-26-18(14-23)15-25/h2,4,6-11,18,25H,3,5,12-15H2,1H3
InChIKeyPPQUMMGADMEJKF-UHFFFAOYSA-N
XLogP1.29
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3aE,5Z,9E)-1-(2-fluoro-4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine
CID 129237696
3-fluoro-N'-hydroxy-4-[2-(hydroxymethyl)morpholin-4-yl]benzenecarboximidamide
CID 81202977
3-Fluoro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81203071
3-fluoro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81203690
3-Fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenecarboximidamide
CID 81204048
3-fluoro-N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933036
3-Fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933093
2-Fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933097
3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777064
3-Fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777089
1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol
CID 88905288
[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine
CID 88905291

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol (CID 148949958) is [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol is Cc1ccc(-n2nc(N3CCOC(CO)C3)c3c2=CCCC=CC=3)cc1.
What is the InChIKey of [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol?
The InChIKey is PPQUMMGADMEJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)24-20-7-5-3-2-4-6-19(20)21(22-24)23-12-13-26-18(14-23)15-25/h2,4,6-11,18,25H,3,5,12-15H2,1H3.
What are the key properties of [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol?
[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 148949958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).