1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine

C21H21N3O — CID 19927882

IUPAC1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine
SMILESC=CCOc1ccc(Nc2ccn(-c3ccccc3)n2)cc1CC=C
InChIInChI=1S/C21H21N3O/c1-3-8-17-16-18(11-12-20(17)25-15-4-2)22-21-13-14-24(23-21)19-9-6-5-7-10-19/h3-7,9-14,16H,1-2,8,15H2,(H,22,23)
InChIKeyMHAOHJWODJOSFK-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.91
Rot. Bonds8

About 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine

1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine (PubChem CID 19927882) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine
PubChem CID19927882
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine
SMILESC=CCOc1ccc(Nc2ccn(-c3ccccc3)n2)cc1CC=C
InChIInChI=1S/C21H21N3O/c1-3-8-17-16-18(11-12-20(17)25-15-4-2)22-21-13-14-24(23-21)19-9-6-5-7-10-19/h3-7,9-14,16H,1-2,8,15H2,(H,22,23)
InChIKeyMHAOHJWODJOSFK-UHFFFAOYSA-N
XLogP4.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine?
The IUPAC name of 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine (CID 19927882) is 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine is C=CCOc1ccc(Nc2ccn(-c3ccccc3)n2)cc1CC=C.
What is the InChIKey of 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine?
The InChIKey is MHAOHJWODJOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-8-17-16-18(11-12-20(17)25-15-4-2)22-21-13-14-24(23-21)19-9-6-5-7-10-19/h3-7,9-14,16H,1-2,8,15H2,(H,22,23).
What are the key properties of 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine?
1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine has a molecular weight of 331.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-prop-2-enoxy-3-prop-2-enylphenyl)pyrazol-3-amine is sourced from PubChem (CID 19927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).