1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide

C22H24N4O3 — CID 1053819

IUPAC1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1
InChIInChI=1S/C22H24N4O3/c1-14-5-6-18(15(2)12-14)26-19(13-17(24-26)20-4-3-11-29-20)22(28)25-9-7-16(8-10-25)21(23)27/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,27)
InChIKeyMTKOSHBVWRGBNL-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide

1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 1053819) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID1053819
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1
InChIInChI=1S/C22H24N4O3/c1-14-5-6-18(15(2)12-14)26-19(13-17(24-26)20-4-3-11-29-20)22(28)25-9-7-16(8-10-25)21(23)27/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,27)
InChIKeyMTKOSHBVWRGBNL-UHFFFAOYSA-N
XLogP3.09
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42762330
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682960
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 1053817
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3470486
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
1-[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110678672
ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5110814
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide (CID 1053819) is 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide is Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is MTKOSHBVWRGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-5-6-18(15(2)12-14)26-19(13-17(24-26)20-4-3-11-29-20)22(28)25-9-7-16(8-10-25)21(23)27/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,27).
What are the key properties of 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1053819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).