3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine

C24H28FN3O — CID 135055861

IUPAC3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC/C(=C(\c1ccccc1)c1cnn(OCCCN(C)C)c1)c1ccccc1F
InChIInChI=1S/C24H28FN3O/c1-4-21(22-13-8-9-14-23(22)25)24(19-11-6-5-7-12-19)20-17-26-28(18-20)29-16-10-15-27(2)3/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3/b24-21-
InChIKeyWTVOOOJHEHHTOM-FLFQWRMESA-N
MW393.51 g/mol
LogP4.77
Rot. Bonds9

About 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine

3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 135055861) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID135055861
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC/C(=C(\c1ccccc1)c1cnn(OCCCN(C)C)c1)c1ccccc1F
InChIInChI=1S/C24H28FN3O/c1-4-21(22-13-8-9-14-23(22)25)24(19-11-6-5-7-12-19)20-17-26-28(18-20)29-16-10-15-27(2)3/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3/b24-21-
InChIKeyWTVOOOJHEHHTOM-FLFQWRMESA-N
XLogP4.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine (CID 135055861) is 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine is CC/C(=C(\c1ccccc1)c1cnn(OCCCN(C)C)c1)c1ccccc1F.
What is the InChIKey of 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is WTVOOOJHEHHTOM-FLFQWRMESA-N. The full InChI is InChI=1S/C24H28FN3O/c1-4-21(22-13-8-9-14-23(22)25)24(19-11-6-5-7-12-19)20-17-26-28(18-20)29-16-10-15-27(2)3/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3/b24-21-.
What are the key properties of 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine?
3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 393.51 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(Z)-2-(2-fluorophenyl)-1-phenylbut-1-enyl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 135055861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).