1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine

C15H19N3O — CID 43776953

IUPAC1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
SMILESC=CCOc1ccccc1CNc1cnn(CC)c1
InChIInChI=1S/C15H19N3O/c1-3-9-19-15-8-6-5-7-13(15)10-16-14-11-17-18(4-2)12-14/h3,5-8,11-12,16H,1,4,9-10H2,2H3
InChIKeyCPYXMYSZTPTUAM-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.08
Rot. Bonds7

About 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine

1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 43776953) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
PubChem CID43776953
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
SMILESC=CCOc1ccccc1CNc1cnn(CC)c1
InChIInChI=1S/C15H19N3O/c1-3-9-19-15-8-6-5-7-13(15)10-16-14-11-17-18(4-2)12-14/h3,5-8,11-12,16H,1,4,9-10H2,2H3
InChIKeyCPYXMYSZTPTUAM-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
N-[(2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43535024
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
4-fluoro-3-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 114838877
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine (CID 43776953) is 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine is C=CCOc1ccccc1CNc1cnn(CC)c1.
What is the InChIKey of 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is CPYXMYSZTPTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-19-15-8-6-5-7-13(15)10-16-14-11-17-18(4-2)12-14/h3,5-8,11-12,16H,1,4,9-10H2,2H3.
What are the key properties of 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43776953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).