5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide

C19H19BrN4O2 — CID 91887761

IUPAC5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(Br)o1
InChIInChI=1S/C19H19BrN4O2/c20-17-9-8-16(26-17)19(25)21-14-7-4-10-24(12-14)18-11-15(22-23-18)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H,21,25)(H,22,23)
InChIKeyZPUCZEOVYPGJCT-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide

5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 91887761) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide
PubChem CID91887761
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(Br)o1
InChIInChI=1S/C19H19BrN4O2/c20-17-9-8-16(26-17)19(25)21-14-7-4-10-24(12-14)18-11-15(22-23-18)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H,21,25)(H,22,23)
InChIKeyZPUCZEOVYPGJCT-UHFFFAOYSA-N
XLogP3.83
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide (CID 91887761) is 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide?
The InChIKey is ZPUCZEOVYPGJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c20-17-9-8-16(26-17)19(25)21-14-7-4-10-24(12-14)18-11-15(22-23-18)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H,21,25)(H,22,23).
What are the key properties of 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide?
5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 91887761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).