[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C23H19ClF3N5O2 — CID 57458705

IUPAC[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C23H19ClF3N5O2/c24-15-4-1-2-5-18(15)32-19(13-21(30-32)23(25,26)27)22(33)31-9-7-14(8-10-31)16-12-17(29-28-16)20-6-3-11-34-20/h1-6,11-14H,7-10H2,(H,28,29)
InChIKeyBQAVVQRWOAGUKR-UHFFFAOYSA-N
MW489.89 g/mol
LogP5.55
Rot. Bonds4

About [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 57458705) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID57458705
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C23H19ClF3N5O2/c24-15-4-1-2-5-18(15)32-19(13-21(30-32)23(25,26)27)22(33)31-9-7-14(8-10-31)16-12-17(29-28-16)20-6-3-11-34-20/h1-6,11-14H,7-10H2,(H,28,29)
InChIKeyBQAVVQRWOAGUKR-UHFFFAOYSA-N
XLogP5.55
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 57458705) is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1.
What is the InChIKey of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is BQAVVQRWOAGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c24-15-4-1-2-5-18(15)32-19(13-21(30-32)23(25,26)27)22(33)31-9-7-14(8-10-31)16-12-17(29-28-16)20-6-3-11-34-20/h1-6,11-14H,7-10H2,(H,28,29).
What are the key properties of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 489.89 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 57458705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).