N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline

C14H19N3O — CID 19619216

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
SMILESCCn1ccc(CNc2cc(C)ccc2OC)n1
InChIInChI=1S/C14H19N3O/c1-4-17-8-7-12(16-17)10-15-13-9-11(2)5-6-14(13)18-3/h5-9,15H,4,10H2,1-3H3
InChIKeyLOIOLQZQCDIMCC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline

N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline (PubChem CID 19619216) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
PubChem CID19619216
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
SMILESCCn1ccc(CNc2cc(C)ccc2OC)n1
InChIInChI=1S/C14H19N3O/c1-4-17-8-7-12(16-17)10-15-13-9-11(2)5-6-14(13)18-3/h5-9,15H,4,10H2,1-3H3
InChIKeyLOIOLQZQCDIMCC-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

2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
CID 19626016
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
CID 19619230
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19623033
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-chloro-2-methoxyaniline
CID 64800625
5-bromo-2-methoxy-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800296
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966462
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline (CID 19619216) is N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline is CCn1ccc(CNc2cc(C)ccc2OC)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is LOIOLQZQCDIMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-8-7-12(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-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline?
N-[(1-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-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 19619216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).