N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine

C15H19N3O — CID 79340247

IUPACN-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-19-11-10-16-9-5-6-14-12-17-18(13-14)15-7-3-2-4-8-15/h2-8,12-13,16H,9-11H2,1H3
InChIKeySZSGDYCNXVRMOG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds7

About N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine

N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 79340247) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID79340247
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-19-11-10-16-9-5-6-14-12-17-18(13-14)15-7-3-2-4-8-15/h2-8,12-13,16H,9-11H2,1H3
InChIKeySZSGDYCNXVRMOG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
4-(3-chloroprop-1-enyl)-1-phenylpyrazole
CID 79335752
N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
CID 170489404
1-(2-methoxyethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea
CID 8978981
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
S-[4-(1-phenylpyrazol-4-yl)but-3-enyl] ethanethioate
CID 170480845
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
2-[(1-phenylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79329897

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine (CID 79340247) is N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine is COCCNCC=Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is SZSGDYCNXVRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-11-10-16-9-5-6-14-12-17-18(13-14)15-7-3-2-4-8-15/h2-8,12-13,16H,9-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79340247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).