2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline

C15H21N3O — CID 19626016

IUPAC2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cc(C)ccc2OC)n1
InChIInChI=1S/C15H21N3O/c1-4-8-18-9-7-13(17-18)11-16-14-10-12(2)5-6-15(14)19-3/h5-7,9-10,16H,4,8,11H2,1-3H3
InChIKeyBCBPPAGUKFNISM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.22
Rot. Bonds6

About 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline

2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline (PubChem CID 19626016) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
PubChem CID19626016
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cc(C)ccc2OC)n1
InChIInChI=1S/C15H21N3O/c1-4-8-18-9-7-13(17-18)11-16-14-10-12(2)5-6-15(14)19-3/h5-7,9-10,16H,4,8,11H2,1-3H3
InChIKeyBCBPPAGUKFNISM-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
CID 122168170
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
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
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline (CID 19626016) is 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline is CCCn1ccc(CNc2cc(C)ccc2OC)n1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is BCBPPAGUKFNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-8-18-9-7-13(17-18)11-16-14-10-12(2)5-6-15(14)19-3/h5-7,9-10,16H,4,8,11H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline?
2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 19626016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).