5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide

C20H23F2N3O2 — CID 162424053

IUPAC5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC23CCC(c4ccccc42)C3(C)C)c1C(F)(F)CO
InChIInChI=1S/C20H23F2N3O2/c1-18(2)14-8-9-19(18,15-7-5-4-6-12(14)15)24-17(27)13-10-23-25(3)16(13)20(21,22)11-26/h4-7,10,14,26H,8-9,11H2,1-3H3,(H,24,27)
InChIKeyBKVLHKWKVNOXEE-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.05
Rot. Bonds4

About 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide

5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide (PubChem CID 162424053) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide
PubChem CID162424053
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC23CCC(c4ccccc42)C3(C)C)c1C(F)(F)CO
InChIInChI=1S/C20H23F2N3O2/c1-18(2)14-8-9-19(18,15-7-5-4-6-12(14)15)24-17(27)13-10-23-25(3)16(13)20(21,22)11-26/h4-7,10,14,26H,8-9,11H2,1-3H3,(H,24,27)
InChIKeyBKVLHKWKVNOXEE-UHFFFAOYSA-N
XLogP3.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[(1S)-11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide
CID 162424065
(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146646197
3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 163640943
3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide
CID 163549892
5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide
CID 146646255
(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 166930844
N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 156577123
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 146084594
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104630791
N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103121107
N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
CID 142326815
N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166342991

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide (CID 162424053) is 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC23CCC(c4ccccc42)C3(C)C)c1C(F)(F)CO.
What is the InChIKey of 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BKVLHKWKVNOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-18(2)14-8-9-19(18,15-7-5-4-6-12(14)15)24-17(27)13-10-23-25(3)16(13)20(21,22)11-26/h4-7,10,14,26H,8-9,11H2,1-3H3,(H,24,27).
What are the key properties of 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide?
5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-hydroxyethyl)-N-(11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 162424053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).