N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline

C14H17N3O — CID 106935198

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline
SMILESC=Cn1cc(CNc2ccccc2OCC)cn1
InChIInChI=1S/C14H17N3O/c1-3-17-11-12(10-16-17)9-15-13-7-5-6-8-14(13)18-4-2/h3,5-8,10-11,15H,1,4,9H2,2H3
InChIKeyNMKMMTMPKJWMGO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.99
Rot. Bonds6

About N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline

N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline (PubChem CID 106935198) 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-ethoxyaniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline
PubChem CID106935198
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline
SMILESC=Cn1cc(CNc2ccccc2OCC)cn1
InChIInChI=1S/C14H17N3O/c1-3-17-11-12(10-16-17)9-15-13-7-5-6-8-14(13)18-4-2/h3,5-8,10-11,15H,1,4,9H2,2H3
InChIKeyNMKMMTMPKJWMGO-UHFFFAOYSA-N
XLogP2.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 106936522
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571
N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
CID 106935180
3-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylbenzenesulfonamide
CID 106936560
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
2,4,5-trichloro-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935218
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 106936572
2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733
3-(difluoromethoxy)-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106936031
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
2-[3-[(1-ethenylpyrazol-4-yl)methylamino]phenoxy]acetonitrile
CID 106936147

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline (CID 106935198) is N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline is C=Cn1cc(CNc2ccccc2OCC)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline?
The InChIKey is NMKMMTMPKJWMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17-11-12(10-16-17)9-15-13-7-5-6-8-14(13)18-4-2/h3,5-8,10-11,15H,1,4,9H2,2H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline has a molecular weight of 243.31 g/mol, XLogP of 2.99, 6 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-ethoxyaniline is sourced from PubChem (CID 106935198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).