N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline

C15H19N3 — CID 106935518

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
SMILESC=Cn1cc(CNc2ccc(CCC)cc2)cn1
InChIInChI=1S/C15H19N3/c1-3-5-13-6-8-15(9-7-13)16-10-14-11-17-18(4-2)12-14/h4,6-9,11-12,16H,2-3,5,10H2,1H3
InChIKeyMXBPACOHPISUPT-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.55
Rot. Bonds6

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

N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline (PubChem CID 106935518) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
PubChem CID106935518
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
SMILESC=Cn1cc(CNc2ccc(CCC)cc2)cn1
InChIInChI=1S/C15H19N3/c1-3-5-13-6-8-15(9-7-13)16-10-14-11-17-18(4-2)12-14/h4,6-9,11-12,16H,2-3,5,10H2,1H3
InChIKeyMXBPACOHPISUPT-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650
4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 106935292
N-[(1-ethenylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 106936091
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 106936467
2-(4-chlorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106935437
N-[(1-ethenylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 106936642
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline
CID 154740115
2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 106936516
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
CID 106936812

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline (CID 106935518) is N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline is C=Cn1cc(CNc2ccc(CCC)cc2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline?
The InChIKey is MXBPACOHPISUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-5-13-6-8-15(9-7-13)16-10-14-11-17-18(4-2)12-14/h4,6-9,11-12,16H,2-3,5,10H2,1H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline has a molecular weight of 241.34 g/mol, XLogP of 3.55, 6 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]-4-propylaniline is sourced from PubChem (CID 106935518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).