3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide

C20H20N4O3 — CID 71882633

IUPAC3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCNC2=O)o1
InChIInChI=1S/C20H20N4O3/c1-13-9-10-17(27-13)18-15(12-24(23-18)14-6-3-2-4-7-14)19(25)22-16-8-5-11-21-20(16)26/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,26)(H,22,25)
InChIKeyBUDFPENIMAFJDY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.45
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide

3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 71882633) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID71882633
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCNC2=O)o1
InChIInChI=1S/C20H20N4O3/c1-13-9-10-17(27-13)18-15(12-24(23-18)14-6-3-2-4-7-14)19(25)22-16-8-5-11-21-20(16)26/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,26)(H,22,25)
InChIKeyBUDFPENIMAFJDY-UHFFFAOYSA-N
XLogP2.45
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750
3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 55803900
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide (CID 71882633) is 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCNC2=O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is BUDFPENIMAFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-9-10-17(27-13)18-15(12-24(23-18)14-6-3-2-4-7-14)19(25)22-16-8-5-11-21-20(16)26/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide?
3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 71882633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).