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

C16H23N3O — CID 114555535

IUPAC2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(C)cc1OCC
InChIInChI=1S/C16H23N3O/c1-4-10-19-14(8-9-18-19)12-17-15-7-6-13(3)11-16(15)20-5-2/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyRTDJUPAOIRSUGY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds7

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

2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555535) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555535
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(C)cc1OCC
InChIInChI=1S/C16H23N3O/c1-4-10-19-14(8-9-18-19)12-17-15-7-6-13(3)11-16(15)20-5-2/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyRTDJUPAOIRSUGY-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
CID 66133417
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
5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555647
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid
CID 114555287
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555535) is 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccc(C)cc1OCC.
What is the InChIKey of 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is RTDJUPAOIRSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-19-14(8-9-18-19)12-17-15-7-6-13(3)11-16(15)20-5-2/h6-9,11,17H,4-5,10,12H2,1-3H3.
What are the key properties of 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).