2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine

C18H23N7O2 — CID 91844335

IUPAC2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCOCCn1nnnc1C1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C18H23N7O2/c1-26-11-10-25-18(20-21-22-25)17-14-23(9-12-27-17)13-15-3-5-16(6-4-15)24-8-2-7-19-24/h2-8,17H,9-14H2,1H3
InChIKeyAFDVQHRIWMLTEZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.08
Rot. Bonds7

About 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine

2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine (PubChem CID 91844335) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
PubChem CID91844335
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCOCCn1nnnc1C1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C18H23N7O2/c1-26-11-10-25-18(20-21-22-25)17-14-23(9-12-27-17)13-15-3-5-16(6-4-15)24-8-2-7-19-24/h2-8,17H,9-14H2,1H3
InChIKeyAFDVQHRIWMLTEZ-UHFFFAOYSA-N
XLogP1.08
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 124841302
(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 99926108
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
CID 124755660
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
CID 99926144
N-(4-fluorophenyl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]acetamide
CID 124756422
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
3-[2-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91836283
1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-pyridin-3-ylethanone
CID 118778786
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
CID 157011317
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
CID 157015628

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
The IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine (CID 91844335) is 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
The canonical SMILES for 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine is COCCn1nnnc1C1CN(Cc2ccc(-n3cccn3)cc2)CCO1.
What is the InChIKey of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
The InChIKey is AFDVQHRIWMLTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-26-11-10-25-18(20-21-22-25)17-14-23(9-12-27-17)13-15-3-5-16(6-4-15)24-8-2-7-19-24/h2-8,17H,9-14H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine?
2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine has a molecular weight of 369.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine is sourced from PubChem (CID 91844335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).