(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone

C26H24ClN3O2 — CID 46120011

IUPAC(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O2/c27-21-8-10-22(11-9-21)30-24(18-23(28-30)25-7-4-16-32-25)26(31)29-14-12-20(13-15-29)17-19-5-2-1-3-6-19/h1-11,16,18,20H,12-15,17H2
InChIKeyYJPFLAMCQHSSPY-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.88
Rot. Bonds5

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

(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone (PubChem CID 46120011) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
PubChem CID46120011
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O2/c27-21-8-10-22(11-9-21)30-24(18-23(28-30)25-7-4-16-32-25)26(31)29-14-12-20(13-15-29)17-19-5-2-1-3-6-19/h1-11,16,18,20H,12-15,17H2
InChIKeyYJPFLAMCQHSSPY-UHFFFAOYSA-N
XLogP5.88
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 4587521
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55489912
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682960
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
[1-(3,4-dichlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053552
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470718
6-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175414
(4-benzylpiperidin-1-yl)-[1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3683577
[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3470486
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493046

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone (CID 46120011) is (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone is O=C(c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone?
The InChIKey is YJPFLAMCQHSSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-21-8-10-22(11-9-21)30-24(18-23(28-30)25-7-4-16-32-25)26(31)29-14-12-20(13-15-29)17-19-5-2-1-3-6-19/h1-11,16,18,20H,12-15,17H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone has a molecular weight of 445.95 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone is sourced from PubChem (CID 46120011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).