1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one

C11H15N5O — CID 96597895

IUPAC1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one
SMILESO=c1n(-c2ccn[nH]2)ccn1C1CCNCC1
InChIInChI=1S/C11H15N5O/c17-11-15(9-1-4-12-5-2-9)7-8-16(11)10-3-6-13-14-10/h3,6-9,12H,1-2,4-5H2,(H,13,14)
InChIKeyPAKVJPSPKJBNSL-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.29
Rot. Bonds2

About 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one

1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one (PubChem CID 96597895) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one
PubChem CID96597895
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one
SMILESO=c1n(-c2ccn[nH]2)ccn1C1CCNCC1
InChIInChI=1S/C11H15N5O/c17-11-15(9-1-4-12-5-2-9)7-8-16(11)10-3-6-13-14-10/h3,6-9,12H,1-2,4-5H2,(H,13,14)
InChIKeyPAKVJPSPKJBNSL-UHFFFAOYSA-N
XLogP0.29
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one?
The IUPAC name of 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one (CID 96597895) is 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one.
What is the SMILES notation for 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one?
The canonical SMILES for 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one is O=c1n(-c2ccn[nH]2)ccn1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one?
The InChIKey is PAKVJPSPKJBNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c17-11-15(9-1-4-12-5-2-9)7-8-16(11)10-3-6-13-14-10/h3,6-9,12H,1-2,4-5H2,(H,13,14).
What are the key properties of 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one?
1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-(1H-pyrazol-5-yl)imidazol-2-one is sourced from PubChem (CID 96597895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).