4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine

C21H24ClN3O — CID 163972025

IUPAC4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine
SMILESCC1CN(c2nn(-c3ccc(Cl)cc3)c3/c2=C\C=C/CCCC=3)CCO1
InChIInChI=1S/C21H24ClN3O/c1-16-15-24(13-14-26-16)21-19-7-5-3-2-4-6-8-20(19)25(23-21)18-11-9-17(22)10-12-18/h3,5,7-12,16H,2,4,6,13-15H2,1H3/b5-3-,19-7+,20-8?
InChIKeySQURITHDBKTUBY-MITQSJCFSA-N
MW369.90 g/mol
LogP3.05
Rot. Bonds2

About 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine

4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine (PubChem CID 163972025) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine
PubChem CID163972025
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine
SMILESCC1CN(c2nn(-c3ccc(Cl)cc3)c3/c2=C\C=C/CCCC=3)CCO1
InChIInChI=1S/C21H24ClN3O/c1-16-15-24(13-14-26-16)21-19-7-5-3-2-4-6-8-20(19)25(23-21)18-11-9-17(22)10-12-18/h3,5,7-12,16H,2,4,6,13-15H2,1H3/b5-3-,19-7+,20-8?
InChIKeySQURITHDBKTUBY-MITQSJCFSA-N
XLogP3.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine with MolForge

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Related Compounds

4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine
CID 123918313
[4-[1-(4-methylphenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholin-2-yl]methanol
CID 148949958
tert-butyl 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]piperidine-1-carboxylate
CID 123653936
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 62870214
4-(2-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80763914
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639

Frequently Asked Questions

What is the IUPAC name of 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine?
The IUPAC name of 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine (CID 163972025) is 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine?
The canonical SMILES for 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine is CC1CN(c2nn(-c3ccc(Cl)cc3)c3/c2=C\C=C/CCCC=3)CCO1.
What is the InChIKey of 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine?
The InChIKey is SQURITHDBKTUBY-MITQSJCFSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-16-15-24(13-14-26-16)21-19-7-5-3-2-4-6-8-20(19)25(23-21)18-11-9-17(22)10-12-18/h3,5,7-12,16H,2,4,6,13-15H2,1H3/b5-3-,19-7+,20-8?.
What are the key properties of 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine?
4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine has a molecular weight of 369.90 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine is sourced from PubChem (CID 163972025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).