3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide

C20H22N4O2 — CID 120577727

IUPAC3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
SMILESCC1NCCCC1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-14-16(9-5-11-21-14)22-20(25)18-13-17(19-10-6-12-26-19)23-24(18)15-7-3-2-4-8-15/h2-4,6-8,10,12-14,16,21H,5,9,11H2,1H3,(H,22,25)
InChIKeyWWLMUBXVFJKSOW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.00
Rot. Bonds4

About 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 120577727) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID120577727
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
SMILESCC1NCCCC1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-14-16(9-5-11-21-14)22-20(25)18-13-17(19-10-6-12-26-19)23-24(18)15-7-3-2-4-8-15/h2-4,6-8,10,12-14,16,21H,5,9,11H2,1H3,(H,22,25)
InChIKeyWWLMUBXVFJKSOW-UHFFFAOYSA-N
XLogP3.00
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393
3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 120944023
4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167951948
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487594

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide (CID 120577727) is 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide is CC1NCCCC1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is WWLMUBXVFJKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-16(9-5-11-21-14)22-20(25)18-13-17(19-10-6-12-26-19)23-24(18)15-7-3-2-4-8-15/h2-4,6-8,10,12-14,16,21H,5,9,11H2,1H3,(H,22,25).
What are the key properties of 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 120577727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).