N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline

C14H17N3O — CID 106935285

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
SMILESC=Cn1cc(CNc2cc(C)ccc2OC)cn1
InChIInChI=1S/C14H17N3O/c1-4-17-10-12(9-16-17)8-15-13-7-11(2)5-6-14(13)18-3/h4-7,9-10,15H,1,8H2,2-3H3
InChIKeyUJDGVNYOHXFBIJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.91
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline

N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline (PubChem CID 106935285) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
PubChem CID106935285
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
SMILESC=Cn1cc(CNc2cc(C)ccc2OC)cn1
InChIInChI=1S/C14H17N3O/c1-4-17-10-12(9-16-17)8-15-13-7-11(2)5-6-14(13)18-3/h4-7,9-10,15H,1,8H2,2-3H3
InChIKeyUJDGVNYOHXFBIJ-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-5-methylaniline
CID 107094615
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 106936465
N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
CID 106935180
2,4,5-trichloro-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935218
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 106936522
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 106936168
2-bromo-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935327
5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048
N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 106936305
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methylsulfonylaniline
CID 106936174
3-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylbenzenesulfonamide
CID 106936560

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline (CID 106935285) is N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline is C=Cn1cc(CNc2cc(C)ccc2OC)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is UJDGVNYOHXFBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17-10-12(9-16-17)8-15-13-7-11(2)5-6-14(13)18-3/h4-7,9-10,15H,1,8H2,2-3H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 106935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).