4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine

C21H25N3O3 — CID 53328488

IUPAC4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine
SMILESCOc1cc(OC)cc(C2CC(c3ccc(N4CCOCC4)cc3)=NN2)c1
InChIInChI=1S/C21H25N3O3/c1-25-18-11-16(12-19(13-18)26-2)21-14-20(22-23-21)15-3-5-17(6-4-15)24-7-9-27-10-8-24/h3-6,11-13,21,23H,7-10,14H2,1-2H3
InChIKeyUTLFRLPZOOSMPS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.98
Rot. Bonds5

About 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine

4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine (PubChem CID 53328488) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine
PubChem CID53328488
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine
SMILESCOc1cc(OC)cc(C2CC(c3ccc(N4CCOCC4)cc3)=NN2)c1
InChIInChI=1S/C21H25N3O3/c1-25-18-11-16(12-19(13-18)26-2)21-14-20(22-23-21)15-3-5-17(6-4-15)24-7-9-27-10-8-24/h3-6,11-13,21,23H,7-10,14H2,1-2H3
InChIKeyUTLFRLPZOOSMPS-UHFFFAOYSA-N
XLogP2.98
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
4-[4-[(1S,3S)-6-methoxy-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]morpholine
CID 139446491
1-[5-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 168719887
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
4-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]morpholine
CID 25011565
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 10668490
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine (CID 53328488) is 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine is COc1cc(OC)cc(C2CC(c3ccc(N4CCOCC4)cc3)=NN2)c1.
What is the InChIKey of 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine?
The InChIKey is UTLFRLPZOOSMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-25-18-11-16(12-19(13-18)26-2)21-14-20(22-23-21)15-3-5-17(6-4-15)24-7-9-27-10-8-24/h3-6,11-13,21,23H,7-10,14H2,1-2H3.
What are the key properties of 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine?
4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine has a molecular weight of 367.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 53328488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).