5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

C20H27FN4O2 — CID 56740922

IUPAC5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)CC(C)(C)N1
InChIInChI=1S/C20H27FN4O2/c1-19(2)10-15(11-20(3,4)25-19)22-18(26)17-9-14(23-24-17)12-27-16-7-5-6-13(21)8-16/h5-9,15,25H,10-12H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyAZUAMVUMLMLMDD-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.17
Rot. Bonds5

About 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 56740922) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID56740922
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)CC(C)(C)N1
InChIInChI=1S/C20H27FN4O2/c1-19(2)10-15(11-20(3,4)25-19)22-18(26)17-9-14(23-24-17)12-27-16-7-5-6-13(21)8-16/h5-9,15,25H,10-12H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyAZUAMVUMLMLMDD-UHFFFAOYSA-N
XLogP3.17
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (CID 56740922) is 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is CC1(C)CC(NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)CC(C)(C)N1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is AZUAMVUMLMLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-19(2)10-15(11-20(3,4)25-19)22-18(26)17-9-14(23-24-17)12-27-16-7-5-6-13(21)8-16/h5-9,15,25H,10-12H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56740922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).