5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide

C18H25ClN4O2 — CID 29096511

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC(C)(C)N1
InChIInChI=1S/C18H25ClN4O2/c1-17(2)7-13(8-18(3,4)22-17)21-16(24)15-6-5-14(25-15)11-23-10-12(19)9-20-23/h5-6,9-10,13,22H,7-8,11H2,1-4H3,(H,21,24)
InChIKeyAIVOJICQIYYLRC-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.22
Rot. Bonds4

About 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 29096511) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
PubChem CID29096511
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC(C)(C)N1
InChIInChI=1S/C18H25ClN4O2/c1-17(2)7-13(8-18(3,4)22-17)21-16(24)15-6-5-14(25-15)11-23-10-12(19)9-20-23/h5-6,9-10,13,22H,7-8,11H2,1-4H3,(H,21,24)
InChIKeyAIVOJICQIYYLRC-UHFFFAOYSA-N
XLogP3.22
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide (CID 29096511) is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide is CC1(C)CC(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC(C)(C)N1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is AIVOJICQIYYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-17(2)7-13(8-18(3,4)22-17)21-16(24)15-6-5-14(25-15)11-23-10-12(19)9-20-23/h5-6,9-10,13,22H,7-8,11H2,1-4H3,(H,21,24).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 364.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 29096511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).