N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline

C14H19N3O — CID 19619277

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
SMILESCCn1nccc1CNc1cc(C)ccc1OC
InChIInChI=1S/C14H19N3O/c1-4-17-12(7-8-16-17)10-15-13-9-11(2)5-6-14(13)18-3/h5-9,15H,4,10H2,1-3H3
InChIKeyDAUFESRVUGBTGK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline

N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline (PubChem CID 19619277) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
PubChem CID19619277
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
SMILESCCn1nccc1CNc1cc(C)ccc1OC
InChIInChI=1S/C14H19N3O/c1-4-17-12(7-8-16-17)10-15-13-9-11(2)5-6-14(13)18-3/h5-9,15H,4,10H2,1-3H3
InChIKeyDAUFESRVUGBTGK-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethoxyaniline
CID 115866170
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
CID 115761863
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555647
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylaniline
CID 115762690
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline (CID 19619277) is N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline is CCn1nccc1CNc1cc(C)ccc1OC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is DAUFESRVUGBTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-12(7-8-16-17)10-15-13-9-11(2)5-6-14(13)18-3/h5-9,15H,4,10H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 245.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 19619277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).