2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one

C18H19N5O2 — CID 56750878

IUPAC2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C18H19N5O2/c24-17-11-16(21-23(17)14-6-2-1-3-7-14)18(25)22-10-4-5-13(12-22)15-8-9-19-20-15/h1-3,6-9,11,13,21H,4-5,10,12H2,(H,19,20)
InChIKeyMAPSNFMLHNIKEP-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.91
Rot. Bonds3

About 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one

2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one (PubChem CID 56750878) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one
PubChem CID56750878
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C18H19N5O2/c24-17-11-16(21-23(17)14-6-2-1-3-7-14)18(25)22-10-4-5-13(12-22)15-8-9-19-20-15/h1-3,6-9,11,13,21H,4-5,10,12H2,(H,19,20)
InChIKeyMAPSNFMLHNIKEP-UHFFFAOYSA-N
XLogP1.91
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one?
The IUPAC name of 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one (CID 56750878) is 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one is O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one?
The InChIKey is MAPSNFMLHNIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17-11-16(21-23(17)14-6-2-1-3-7-14)18(25)22-10-4-5-13(12-22)15-8-9-19-20-15/h1-3,6-9,11,13,21H,4-5,10,12H2,(H,19,20).
What are the key properties of 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one?
2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one has a molecular weight of 337.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrazol-3-one is sourced from PubChem (CID 56750878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).