1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

C24H20N4O — CID 126812768

IUPAC1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CNCc3ccc4occc4c3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H20N4O/c1-2-4-22(5-3-1)28-17-21(24(27-28)19-8-11-25-12-9-19)16-26-15-18-6-7-23-20(14-18)10-13-29-23/h1-14,17,26H,15-16H2
InChIKeyUGEDMJGTLHRDQT-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.97
Rot. Bonds6

About 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 126812768) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
PubChem CID126812768
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CNCc3ccc4occc4c3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H20N4O/c1-2-4-22(5-3-1)28-17-21(24(27-28)19-8-11-25-12-9-19)16-26-15-18-6-7-23-20(14-18)10-13-29-23/h1-14,17,26H,15-16H2
InChIKeyUGEDMJGTLHRDQT-UHFFFAOYSA-N
XLogP4.97
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine
CID 42630443
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
CID 71906904
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 26690499
1-[(2R)-1,4-dioxan-2-yl]-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 95152409
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
CID 1290486
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (CID 126812768) is 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is c1ccc(-n2cc(CNCc3ccc4occc4c3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is UGEDMJGTLHRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-2-4-22(5-3-1)28-17-21(24(27-28)19-8-11-25-12-9-19)16-26-15-18-6-7-23-20(14-18)10-13-29-23/h1-14,17,26H,15-16H2.
What are the key properties of 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 380.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 126812768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).