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

C21H23N3O2 — CID 42762330

IUPAC[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(-n2nc(-c3ccco3)cc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23N3O2/c1-15-8-9-16(2)18(13-15)24-19(21(25)23-10-4-3-5-11-23)14-17(22-24)20-7-6-12-26-20/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyXFLHGNYJBJVVFH-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.38
Rot. Bonds3

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

[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42762330) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID42762330
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(-n2nc(-c3ccco3)cc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23N3O2/c1-15-8-9-16(2)18(13-15)24-19(21(25)23-10-4-3-5-11-23)14-17(22-24)20-7-6-12-26-20/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyXFLHGNYJBJVVFH-UHFFFAOYSA-N
XLogP4.38
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 1053819
N-tert-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762329
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
ethyl 4-[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 3904099
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053621
(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 55878777
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
ethyl 1-[1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4211576
(4-benzhydrylpiperazin-1-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 1053847
ethyl 1-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3371718

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone (CID 42762330) is [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone is Cc1ccc(C)c(-n2nc(-c3ccco3)cc2C(=O)N2CCCCC2)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is XFLHGNYJBJVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-8-9-16(2)18(13-15)24-19(21(25)23-10-4-3-5-11-23)14-17(22-24)20-7-6-12-26-20/h6-9,12-14H,3-5,10-11H2,1-2H3.
What are the key properties of [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 349.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42762330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).