2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline

C17H25N3 — CID 64800231

IUPAC2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
SMILESCCC(CC)n1ccc(CNc2ccc(C)cc2C)n1
InChIInChI=1S/C17H25N3/c1-5-16(6-2)20-10-9-15(19-20)12-18-17-8-7-13(3)11-14(17)4/h7-11,16,18H,5-6,12H2,1-4H3
InChIKeyOUGIIYYGEBEAIP-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.47
Rot. Bonds6

About 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline

2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline (PubChem CID 64800231) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
PubChem CID64800231
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
SMILESCCC(CC)n1ccc(CNc2ccc(C)cc2C)n1
InChIInChI=1S/C17H25N3/c1-5-16(6-2)20-10-9-15(19-20)12-18-17-8-7-13(3)11-14(17)4/h7-11,16,18H,5-6,12H2,1-4H3
InChIKeyOUGIIYYGEBEAIP-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64801604
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
5-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799073
2,6-dibromo-4-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800837
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351054
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
5-bromo-2-methoxy-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800296
2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799329
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
4-bromo-3-fluoro-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 65437901

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline (CID 64800231) is 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline is CCC(CC)n1ccc(CNc2ccc(C)cc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is OUGIIYYGEBEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-16(6-2)20-10-9-15(19-20)12-18-17-8-7-13(3)11-14(17)4/h7-11,16,18H,5-6,12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline?
2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 271.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 64800231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).