N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline

C16H23N3O — CID 115762790

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccnn1CC
InChIInChI=1S/C16H23N3O/c1-4-10-20-16-11-13(3)6-7-15(16)17-12-14-8-9-18-19(14)5-2/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyKYJUNEMJLLMKGN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline

N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline (PubChem CID 115762790) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
PubChem CID115762790
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccnn1CC
InChIInChI=1S/C16H23N3O/c1-4-10-20-16-11-13(3)6-7-15(16)17-12-14-8-9-18-19(14)5-2/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyKYJUNEMJLLMKGN-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
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
CID 66133624
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpyridin-3-amine
CID 115762824
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline (CID 115762790) is N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NCc1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline?
The InChIKey is KYJUNEMJLLMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-20-16-11-13(3)6-7-15(16)17-12-14-8-9-18-19(14)5-2/h6-9,11,17H,4-5,10,12H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline?
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline 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 N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline is sourced from PubChem (CID 115762790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).