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

C15H21N3 — CID 28618675

IUPAC3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCCc1cccc(NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3/c1-5-13-7-6-8-14(9-13)16-10-15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3
InChIKeyKNWRBLPLLACYEM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds4

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

3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (PubChem CID 28618675) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
PubChem CID28618675
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCCc1cccc(NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3/c1-5-13-7-6-8-14(9-13)16-10-15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3
InChIKeyKNWRBLPLLACYEM-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717912
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647
3,5-dichloro-4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 103579798
2,6-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenol
CID 107678888
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-fluoroaniline
CID 115584977
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (CID 28618675) is 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is CCc1cccc(NCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The InChIKey is KNWRBLPLLACYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-13-7-6-8-14(9-13)16-10-15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3.
What are the key properties of 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline has a molecular weight of 243.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 28618675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).