[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine

C16H22N4O — CID 43542446

IUPAC[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccccc2)c(N2CCOCC2C)c1CN
InChIInChI=1S/C16H22N4O/c1-12-11-21-9-8-19(12)16-15(10-17)13(2)18-20(16)14-6-4-3-5-7-14/h3-7,12H,8-11,17H2,1-2H3
InChIKeyWXLUQIGKKJYEND-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.86
Rot. Bonds3

About [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine

[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine (PubChem CID 43542446) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine
PubChem CID43542446
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccccc2)c(N2CCOCC2C)c1CN
InChIInChI=1S/C16H22N4O/c1-12-11-21-9-8-19(12)16-15(10-17)13(2)18-20(16)14-6-4-3-5-7-14/h3-7,12H,8-11,17H2,1-2H3
InChIKeyWXLUQIGKKJYEND-UHFFFAOYSA-N
XLogP1.86
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine?
The IUPAC name of [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine (CID 43542446) is [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine is Cc1nn(-c2ccccc2)c(N2CCOCC2C)c1CN.
What is the InChIKey of [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine?
The InChIKey is WXLUQIGKKJYEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-11-21-9-8-19(12)16-15(10-17)13(2)18-20(16)14-6-4-3-5-7-14/h3-7,12H,8-11,17H2,1-2H3.
What are the key properties of [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine?
[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine is sourced from PubChem (CID 43542446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).