1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine

C25H25FN4O — CID 69362880

IUPAC1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnn(-c3ccc(-c4cccc(F)c4)cc3)c2-c2ccco2)CC1
InChIInChI=1S/C25H25FN4O/c26-21-4-1-3-19(15-21)18-6-8-23(9-7-18)30-25(24-5-2-14-31-24)20(16-28-30)17-29-12-10-22(27)11-13-29/h1-9,14-16,22H,10-13,17,27H2
InChIKeyIOBWVAKDKHUTKD-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.86
Rot. Bonds5

About 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine

1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine (PubChem CID 69362880) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine
PubChem CID69362880
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnn(-c3ccc(-c4cccc(F)c4)cc3)c2-c2ccco2)CC1
InChIInChI=1S/C25H25FN4O/c26-21-4-1-3-19(15-21)18-6-8-23(9-7-18)30-25(24-5-2-14-31-24)20(16-28-30)17-29-12-10-22(27)11-13-29/h1-9,14-16,22H,10-13,17,27H2
InChIKeyIOBWVAKDKHUTKD-UHFFFAOYSA-N
XLogP4.86
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine (CID 69362880) is 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine is NC1CCN(Cc2cnn(-c3ccc(-c4cccc(F)c4)cc3)c2-c2ccco2)CC1.
What is the InChIKey of 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is IOBWVAKDKHUTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-21-4-1-3-19(15-21)18-6-8-23(9-7-18)30-25(24-5-2-14-31-24)20(16-28-30)17-29-12-10-22(27)11-13-29/h1-9,14-16,22H,10-13,17,27H2.
What are the key properties of 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine?
1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 416.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(3-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 69362880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).