4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine

C19H20ClN3O — CID 123918313

IUPAC4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine
SMILESClc1ccc(-n2nc(N3CCOCC3)c3c2=CCCC=CC=3)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)23-18-6-4-2-1-3-5-17(18)19(21-23)22-11-13-24-14-12-22/h1,3,5-10H,2,4,11-14H2
InChIKeyCIIZIPRYJNVLGX-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.27
Rot. Bonds2

About 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine

4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine (PubChem CID 123918313) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine
PubChem CID123918313
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine
SMILESClc1ccc(-n2nc(N3CCOCC3)c3c2=CCCC=CC=3)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)23-18-6-4-2-1-3-5-17(18)19(21-23)22-11-13-24-14-12-22/h1,3,5-10H,2,4,11-14H2
InChIKeyCIIZIPRYJNVLGX-UHFFFAOYSA-N
XLogP2.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3aE,5Z)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[c]pyrazol-3-yl]-2-methylmorpholine
CID 163972025
carbon dioxide;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;hydrochloride
CID 158726702
4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine
CID 123914853
4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
CID 6405046
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488
1-(4-chlorophenyl)-3-(oxan-4-yl)-7H-cyclohepta[b]pyrrole
CID 123336149
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
CID 163314828
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine
CID 174711203
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine (CID 123918313) is 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine is Clc1ccc(-n2nc(N3CCOCC3)c3c2=CCCC=CC=3)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine?
The InChIKey is CIIZIPRYJNVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)23-18-6-4-2-1-3-5-17(18)19(21-23)22-11-13-24-14-12-22/h1,3,5-10H,2,4,11-14H2.
What are the key properties of 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine?
4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine has a molecular weight of 341.84 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine is sourced from PubChem (CID 123918313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).