[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone

C19H18ClN3O2 — CID 1053503

IUPAC[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-17(19(24)22-9-2-1-3-10-22)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,1-3,9-10H2
InChIKeyNINDOYIZKDYQNK-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.41
Rot. Bonds3

About [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone

[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 1053503) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID1053503
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC Name[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-17(19(24)22-9-2-1-3-10-22)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,1-3,9-10H2
InChIKeyNINDOYIZKDYQNK-UHFFFAOYSA-N
XLogP4.41
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone (CID 1053503) is [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is NINDOYIZKDYQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-17(19(24)22-9-2-1-3-10-22)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,1-3,9-10H2.
What are the key properties of [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 355.82 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1053503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).