2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline

C17H25N3O — CID 64799329

IUPAC2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
SMILESCCC(CC)n1ccc(CNc2ccccc2COC)n1
InChIInChI=1S/C17H25N3O/c1-4-16(5-2)20-11-10-15(19-20)12-18-17-9-7-6-8-14(17)13-21-3/h6-11,16,18H,4-5,12-13H2,1-3H3
InChIKeyYKZAJIHIXHAYAM-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.00
Rot. Bonds8

About 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline

2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline (PubChem CID 64799329) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
PubChem CID64799329
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
SMILESCCC(CC)n1ccc(CNc2ccccc2COC)n1
InChIInChI=1S/C17H25N3O/c1-4-16(5-2)20-11-10-15(19-20)12-18-17-9-7-6-8-14(17)13-21-3/h6-11,16,18H,4-5,12-13H2,1-3H3
InChIKeyYKZAJIHIXHAYAM-UHFFFAOYSA-N
XLogP4.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800296
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800231
N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 82722023
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351054
2-(methoxymethyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312144
2-chloro-4-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64801604
5-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799073
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline (CID 64799329) is 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline is CCC(CC)n1ccc(CNc2ccccc2COC)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is YKZAJIHIXHAYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-16(5-2)20-11-10-15(19-20)12-18-17-9-7-6-8-14(17)13-21-3/h6-11,16,18H,4-5,12-13H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 64799329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).