5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one

C22H23ClN4O — CID 22953930

IUPAC5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CCC1=O
InChIInChI=1S/C22H23ClN4O/c1-14(2)27-13-17(5-8-19(27)28)22-20(15-9-11-24-12-10-15)21(25-26-22)16-3-6-18(23)7-4-16/h3-4,6-7,9-12,14,17H,5,8,13H2,1-2H3,(H,25,26)
InChIKeyMJOUWUNCKIPHIX-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.91
Rot. Bonds4

About 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one

5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 22953930) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID22953930
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CCC1=O
InChIInChI=1S/C22H23ClN4O/c1-14(2)27-13-17(5-8-19(27)28)22-20(15-9-11-24-12-10-15)21(25-26-22)16-3-6-18(23)7-4-16/h3-4,6-7,9-12,14,17H,5,8,13H2,1-2H3,(H,25,26)
InChIKeyMJOUWUNCKIPHIX-UHFFFAOYSA-N
XLogP4.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one (CID 22953930) is 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one is CC(C)N1CC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CCC1=O.
What is the InChIKey of 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is MJOUWUNCKIPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-14(2)27-13-17(5-8-19(27)28)22-20(15-9-11-24-12-10-15)21(25-26-22)16-3-6-18(23)7-4-16/h3-4,6-7,9-12,14,17H,5,8,13H2,1-2H3,(H,25,26).
What are the key properties of 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one?
5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 394.91 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 22953930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).