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

C19H20N4O2 — CID 91914548

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccoc1
InChIInChI=1S/C19H20N4O2/c24-19(15-8-10-25-13-15)20-16-7-4-9-23(12-16)18-11-17(21-22-18)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,16H,4,7,9,12H2,(H,20,24)(H,21,22)
InChIKeyBPDQWWKRDGJTOB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.07
Rot. Bonds4

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

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide (PubChem CID 91914548) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
PubChem CID91914548
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccoc1
InChIInChI=1S/C19H20N4O2/c24-19(15-8-10-25-13-15)20-16-7-4-9-23(12-16)18-11-17(21-22-18)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,16H,4,7,9,12H2,(H,20,24)(H,21,22)
InChIKeyBPDQWWKRDGJTOB-UHFFFAOYSA-N
XLogP3.07
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide (CID 91914548) is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccoc1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide?
The InChIKey is BPDQWWKRDGJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(15-8-10-25-13-15)20-16-7-4-9-23(12-16)18-11-17(21-22-18)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,16H,4,7,9,12H2,(H,20,24)(H,21,22).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 91914548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).