N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine

C27H24FN5 — CID 142678029

IUPACN-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESFc1ccccc1-c1c(CNCCc2cnc[nH]2)cnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24FN5/c28-26-9-5-4-8-25(26)27-22(16-29-15-14-23-18-30-19-31-23)17-32-33(27)24-12-10-21(11-13-24)20-6-2-1-3-7-20/h1-13,17-19,29H,14-16H2,(H,30,31)
InChIKeyZHDLUVCOVDZIOZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.40
Rot. Bonds8

About N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine

N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 142678029) has the molecular formula C27H24FN5 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID142678029
Molecular FormulaC27H24FN5
Molecular Weight437.52 g/mol
Exact Mass437.20
IUPAC NameN-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESFc1ccccc1-c1c(CNCCc2cnc[nH]2)cnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24FN5/c28-26-9-5-4-8-25(26)27-22(16-29-15-14-23-18-30-19-31-23)17-32-33(27)24-12-10-21(11-13-24)20-6-2-1-3-7-20/h1-13,17-19,29H,14-16H2,(H,30,31)
InChIKeyZHDLUVCOVDZIOZ-UHFFFAOYSA-N
XLogP5.40
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
4-[2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]ethyl]-1,4-oxazepane
CID 142949271
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65231014
N-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)methanamine
CID 42778544
N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine
CID 142232809
2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine
CID 142678059
N-[[1-[4-(2,5-difluorophenyl)phenyl]-5-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 142677964
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 64988608
2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
CID 115607686
[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methanol
CID 142677954

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 142678029) is N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine is Fc1ccccc1-c1c(CNCCc2cnc[nH]2)cnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is ZHDLUVCOVDZIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5/c28-26-9-5-4-8-25(26)27-22(16-29-15-14-23-18-30-19-31-23)17-32-33(27)24-12-10-21(11-13-24)20-6-2-1-3-7-20/h1-13,17-19,29H,14-16H2,(H,30,31).
What are the key properties of N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 437.52 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 142678029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).