4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine

C16H22N4O2 — CID 90156571

IUPAC4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine
SMILESCc1c(OC[C@@H]2CN(C)CCO2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H22N4O2/c1-12-15(17)20(13-6-4-3-5-7-13)18-16(12)22-11-14-10-19(2)8-9-21-14/h3-7,14H,8-11,17H2,1-2H3/t14-/m0/s1
InChIKeyASICXJJGHDOFRO-AWEZNQCLSA-N
MW302.38 g/mol
LogP1.47
Rot. Bonds4

About 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine

4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine (PubChem CID 90156571) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine
PubChem CID90156571
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine
SMILESCc1c(OC[C@@H]2CN(C)CCO2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H22N4O2/c1-12-15(17)20(13-6-4-3-5-7-13)18-16(12)22-11-14-10-19(2)8-9-21-14/h3-7,14H,8-11,17H2,1-2H3/t14-/m0/s1
InChIKeyASICXJJGHDOFRO-AWEZNQCLSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine?
The IUPAC name of 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine (CID 90156571) is 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine is Cc1c(OC[C@@H]2CN(C)CCO2)nn(-c2ccccc2)c1N.
What is the InChIKey of 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine?
The InChIKey is ASICXJJGHDOFRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-15(17)20(13-6-4-3-5-7-13)18-16(12)22-11-14-10-19(2)8-9-21-14/h3-7,14H,8-11,17H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine?
4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine has a molecular weight of 302.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-amine is sourced from PubChem (CID 90156571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).