4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

C20H27N7O2 — CID 155503723

IUPAC4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3c(C)nn(-c4ccccc4)c3C)CCO2)n1
InChIInChI=1S/C20H27N7O2/c1-15-18(16(2)27(22-15)17-7-5-4-6-8-17)13-25-9-12-29-19(14-25)20-21-24-26(23-20)10-11-28-3/h4-8,19H,9-14H2,1-3H3
InChIKeyFECLPUCDIXFEJT-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.70
Rot. Bonds7

About 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (PubChem CID 155503723) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
PubChem CID155503723
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3c(C)nn(-c4ccccc4)c3C)CCO2)n1
InChIInChI=1S/C20H27N7O2/c1-15-18(16(2)27(22-15)17-7-5-4-6-8-17)13-25-9-12-29-19(14-25)20-21-24-26(23-20)10-11-28-3/h4-8,19H,9-14H2,1-3H3
InChIKeyFECLPUCDIXFEJT-UHFFFAOYSA-N
XLogP1.70
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
CID 155503021
4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155911936
2-[[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine
CID 155916042
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine
CID 136555263
(4aS,7aS)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129378900
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
CID 155497759
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968586
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The IUPAC name of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (CID 155503723) is 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is COCCn1nnc(C2CN(Cc3c(C)nn(-c4ccccc4)c3C)CCO2)n1.
What is the InChIKey of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The InChIKey is FECLPUCDIXFEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-15-18(16(2)27(22-15)17-7-5-4-6-8-17)13-25-9-12-29-19(14-25)20-21-24-26(23-20)10-11-28-3/h4-8,19H,9-14H2,1-3H3.
What are the key properties of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine has a molecular weight of 397.48 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 155503723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).