3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

C21H22N4O3S — CID 128991468

IUPAC3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCSc1ccc(C(=O)N2CCCC(c3nn(-c4ccccc4)cc3C(N)=O)C2)o1
InChIInChI=1S/C21H22N4O3S/c1-29-18-10-9-17(28-18)21(27)24-11-5-6-14(12-24)19-16(20(22)26)13-25(23-19)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3,(H2,22,26)
InChIKeyRNJJPRITSPSOFQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.31
Rot. Bonds5

About 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 128991468) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID128991468
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCSc1ccc(C(=O)N2CCCC(c3nn(-c4ccccc4)cc3C(N)=O)C2)o1
InChIInChI=1S/C21H22N4O3S/c1-29-18-10-9-17(28-18)21(27)24-11-5-6-14(12-24)19-16(20(22)26)13-25(23-19)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3,(H2,22,26)
InChIKeyRNJJPRITSPSOFQ-UHFFFAOYSA-N
XLogP3.31
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 167920055
3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128989170
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
CID 128993642
N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323745
3-[(3R)-1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323533
3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 129323530
3-[(3R)-1-(4-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129324520
3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 129325046
(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 119379648
(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone
CID 119577876
N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 129324409
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (CID 128991468) is 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is CSc1ccc(C(=O)N2CCCC(c3nn(-c4ccccc4)cc3C(N)=O)C2)o1.
What is the InChIKey of 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RNJJPRITSPSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-29-18-10-9-17(28-18)21(27)24-11-5-6-14(12-24)19-16(20(22)26)13-25(23-19)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3,(H2,22,26).
What are the key properties of 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 128991468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).