2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine

C16H19N7O — CID 157011317

IUPAC2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCn1nnc(C2CN(Cc3cccc(-n4cccn4)c3)CCO2)n1
InChIInChI=1S/C16H19N7O/c1-21-19-16(18-20-21)15-12-22(8-9-24-15)11-13-4-2-5-14(10-13)23-7-3-6-17-23/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyQJWGHFIJYIXRCH-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine

2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine (PubChem CID 157011317) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
PubChem CID157011317
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCn1nnc(C2CN(Cc3cccc(-n4cccn4)c3)CCO2)n1
InChIInChI=1S/C16H19N7O/c1-21-19-16(18-20-21)15-12-22(8-9-24-15)11-13-4-2-5-14(10-13)23-7-3-6-17-23/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyQJWGHFIJYIXRCH-UHFFFAOYSA-N
XLogP0.97
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 124841302
2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 91844335
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
CID 52809539
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
4-[1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56888182
2-[2-[[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 157017908
2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 74242185
methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
CID 163312715
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine (CID 157011317) is 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine is Cn1nnc(C2CN(Cc3cccc(-n4cccn4)c3)CCO2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine?
The InChIKey is QJWGHFIJYIXRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-19-16(18-20-21)15-12-22(8-9-24-15)11-13-4-2-5-14(10-13)23-7-3-6-17-23/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine?
2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine has a molecular weight of 325.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine is sourced from PubChem (CID 157011317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).