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

C15H21N3O — CID 114555748

IUPAC4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(OC)cc1C
InChIInChI=1S/C15H21N3O/c1-4-9-18-13(7-8-17-18)11-16-15-6-5-14(19-3)10-12(15)2/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyQYDVLGTWMCXGTN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.22
Rot. Bonds6

About 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline

4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555748) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555748
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(OC)cc1C
InChIInChI=1S/C15H21N3O/c1-4-9-18-13(7-8-17-18)11-16-15-6-5-14(19-3)10-12(15)2/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyQYDVLGTWMCXGTN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555647
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid
CID 114555287
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555748) is 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccc(OC)cc1C.
What is the InChIKey of 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is QYDVLGTWMCXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-18-13(7-8-17-18)11-16-15-6-5-14(19-3)10-12(15)2/h5-8,10,16H,4,9,11H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
4-methoxy-2-methyl-N-[(2-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 4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).