N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline

C15H21N3 — CID 83092684

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1cn(C)nc1C
InChIInChI=1S/C15H21N3/c1-5-13-8-6-7-11(2)15(13)16-9-14-10-18(4)17-12(14)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyDDHVITWIGIPXDU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline (PubChem CID 83092684) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
PubChem CID83092684
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1cn(C)nc1C
InChIInChI=1S/C15H21N3/c1-5-13-8-6-7-11(2)15(13)16-9-14-10-18(4)17-12(14)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyDDHVITWIGIPXDU-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

2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylaniline
CID 83089565
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,6-difluoro-3-methylaniline
CID 83089818
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
CID 12905140
2-chloro-6-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 66252468
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672305
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
CID 83089796
1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
CID 91413155

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline (CID 83092684) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline?
The InChIKey is DDHVITWIGIPXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-13-8-6-7-11(2)15(13)16-9-14-10-18(4)17-12(14)3/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline 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 N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 83092684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).