N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline

C15H19N3 — CID 106936465

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
SMILESC=Cn1cc(CNc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C15H19N3/c1-5-18-10-14(9-17-18)8-16-15-12(3)6-11(2)7-13(15)4/h5-7,9-10,16H,1,8H2,2-4H3
InChIKeyIPHSDEWNDIQXCX-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.52
Rot. Bonds4

About N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline

N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline (PubChem CID 106936465) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
PubChem CID106936465
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
SMILESC=Cn1cc(CNc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C15H19N3/c1-5-18-10-14(9-17-18)8-16-15-12(3)6-11(2)7-13(15)4/h5-7,9-10,16H,1,8H2,2-4H3
InChIKeyIPHSDEWNDIQXCX-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106937158
2-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-5-methylaniline
CID 107094615
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 106935285
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
2,4,5-trichloro-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935218
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 106936305
N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 106936741
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline (CID 106936465) is N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline is C=Cn1cc(CNc2c(C)cc(C)cc2C)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
The InChIKey is IPHSDEWNDIQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-5-18-10-14(9-17-18)8-16-15-12(3)6-11(2)7-13(15)4/h5-7,9-10,16H,1,8H2,2-4H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline has a molecular weight of 241.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 106936465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).