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

C14H19N3O — CID 62126525

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
SMILESCCn1cc(CNc2cccc(COC)c2)cn1
InChIInChI=1S/C14H19N3O/c1-3-17-10-13(9-16-17)8-15-14-6-4-5-12(7-14)11-18-2/h4-7,9-10,15H,3,8,11H2,1-2H3
InChIKeyKRDBAXMRDLVJPJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.66
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline (PubChem CID 62126525) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
PubChem CID62126525
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
SMILESCCn1cc(CNc2cccc(COC)c2)cn1
InChIInChI=1S/C14H19N3O/c1-3-17-10-13(9-16-17)8-15-14-6-4-5-12(7-14)11-18-2/h4-7,9-10,15H,3,8,11H2,1-2H3
InChIKeyKRDBAXMRDLVJPJ-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103818746
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline (CID 62126525) is N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline is CCn1cc(CNc2cccc(COC)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
The InChIKey is KRDBAXMRDLVJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-10-13(9-16-17)8-15-14-6-4-5-12(7-14)11-18-2/h4-7,9-10,15H,3,8,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline?
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 62126525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).