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

C16H19N7O — CID 157015628

IUPAC2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
SMILESCn1nnnc1C1CN(Cc2ccnn2-c2ccccc2)CCO1
InChIInChI=1S/C16H19N7O/c1-21-16(18-19-20-21)15-12-22(9-10-24-15)11-14-7-8-17-23(14)13-5-3-2-4-6-13/h2-8,15H,9-12H2,1H3
InChIKeyMXLCKFDLAFKSOW-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.97
Rot. Bonds4

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

2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine (PubChem CID 157015628) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
PubChem CID157015628
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
SMILESCn1nnnc1C1CN(Cc2ccnn2-c2ccccc2)CCO1
InChIInChI=1S/C16H19N7O/c1-21-16(18-19-20-21)15-12-22(9-10-24-15)11-14-7-8-17-23(14)13-5-3-2-4-6-13/h2-8,15H,9-12H2,1H3
InChIKeyMXLCKFDLAFKSOW-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

4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine
CID 170507338
N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 120834032
2-(1-methyltetrazol-5-yl)-4-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]morpholine
CID 162635741
6-[(2S)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 124966544
6-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 110112311
(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
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine
CID 162629473
(2R)-4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 124985772
6-methyl-N-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124977186
(3R,4S)-4-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 164690116

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine (CID 157015628) is 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine is Cn1nnnc1C1CN(Cc2ccnn2-c2ccccc2)CCO1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine?
The InChIKey is MXLCKFDLAFKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-16(18-19-20-21)15-12-22(9-10-24-15)11-14-7-8-17-23(14)13-5-3-2-4-6-13/h2-8,15H,9-12H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine?
2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)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-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 157015628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).