2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C14H19N3O — CID 106757127

IUPAC2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCOCc1ccccc1NC(C)c1ccnn1C
InChIInChI=1S/C14H19N3O/c1-11(14-8-9-15-17(14)2)16-13-7-5-4-6-12(13)10-18-3/h4-9,11,16H,10H2,1-3H3
InChIKeyZIGWJDUKVDBALL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.74
Rot. Bonds5

About 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106757127) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106757127
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCOCc1ccccc1NC(C)c1ccnn1C
InChIInChI=1S/C14H19N3O/c1-11(14-8-9-15-17(14)2)16-13-7-5-4-6-12(13)10-18-3/h4-9,11,16H,10H2,1-3H3
InChIKeyZIGWJDUKVDBALL-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757438
2-bromo-5-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757879
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline
CID 99602597
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106757127) is 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is COCc1ccccc1NC(C)c1ccnn1C.
What is the InChIKey of 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is ZIGWJDUKVDBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(14-8-9-15-17(14)2)16-13-7-5-4-6-12(13)10-18-3/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106757127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).