1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide

C22H24N4O4 — CID 4032604

IUPAC1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H24N4O4/c1-14-3-8-20(30-14)18-13-19(22(28)25-11-9-15(10-12-25)21(23)27)26(24-18)16-4-6-17(29-2)7-5-16/h3-8,13,15H,9-12H2,1-2H3,(H2,23,27)
InChIKeyWQDSISGDUXKTDS-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.79
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide

1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 4032604) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID4032604
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H24N4O4/c1-14-3-8-20(30-14)18-13-19(22(28)25-11-9-15(10-12-25)21(23)27)26(24-18)16-4-6-17(29-2)7-5-16/h3-8,13,15H,9-12H2,1-2H3,(H2,23,27)
InChIKeyWQDSISGDUXKTDS-UHFFFAOYSA-N
XLogP2.79
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761946
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 812317
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3926868
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4242006
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42758938
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
CID 17052419
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 1053819
1-[1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759040

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide (CID 4032604) is 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide is COc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is WQDSISGDUXKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-3-8-20(30-14)18-13-19(22(28)25-11-9-15(10-12-25)21(23)27)26(24-18)16-4-6-17(29-2)7-5-16/h3-8,13,15H,9-12H2,1-2H3,(H2,23,27).
What are the key properties of 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 4032604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).