N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline

C15H21N3O — CID 112549349

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
SMILESCCc1nn(C)cc1CNc1cccc(COC)c1
InChIInChI=1S/C15H21N3O/c1-4-15-13(10-18(2)17-15)9-16-14-7-5-6-12(8-14)11-19-3/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyCOYVPFMTRDUUGV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline (PubChem CID 112549349) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
PubChem CID112549349
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
SMILESCCc1nn(C)cc1CNc1cccc(COC)c1
InChIInChI=1S/C15H21N3O/c1-4-15-13(10-18(2)17-15)9-16-14-7-5-6-12(8-14)11-19-3/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyCOYVPFMTRDUUGV-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 115885541
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452
N-benzyl-3-(methoxymethyl)aniline
CID 43672166

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline (CID 112549349) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline is CCc1nn(C)cc1CNc1cccc(COC)c1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
The InChIKey is COYVPFMTRDUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15-13(10-18(2)17-15)9-16-14-7-5-6-12(8-14)11-19-3/h5-8,10,16H,4,9,11H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline has a molecular weight of 259.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 112549349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).