2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

C18H26N4O — CID 122148156

IUPAC2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCc1ccc(N2CCOCC2)cc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C18H26N4O/c1-13-5-6-16(22-7-9-23-10-8-22)11-18(13)19-12-17-14(2)20-21(4)15(17)3/h5-6,11,19H,7-10,12H2,1-4H3
InChIKeyRCPHZMXUYMVAOH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (PubChem CID 122148156) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
PubChem CID122148156
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCc1ccc(N2CCOCC2)cc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C18H26N4O/c1-13-5-6-16(22-7-9-23-10-8-22)11-18(13)19-12-17-14(2)20-21(4)15(17)3/h5-6,11,19H,7-10,12H2,1-4H3
InChIKeyRCPHZMXUYMVAOH-UHFFFAOYSA-N
XLogP2.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (CID 122148156) is 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is Cc1ccc(N2CCOCC2)cc1NCc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The InChIKey is RCPHZMXUYMVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-5-6-16(22-7-9-23-10-8-22)11-18(13)19-12-17-14(2)20-21(4)15(17)3/h5-6,11,19H,7-10,12H2,1-4H3.
What are the key properties of 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline has a molecular weight of 314.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 122148156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).