N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H24F3N3O — CID 4769125

IUPACN-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24F3N3O/c20-19(21,22)16-6-15(14-1-2-14)25(24-16)10-17(26)23-18-7-11-3-12(8-18)5-13(4-11)9-18/h6,11-14H,1-5,7-10H2,(H,23,26)
InChIKeyJFGSHFQXGUXJTE-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.86
Rot. Bonds4

About N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4769125) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4769125
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24F3N3O/c20-19(21,22)16-6-15(14-1-2-14)25(24-16)10-17(26)23-18-7-11-3-12(8-18)5-13(4-11)9-18/h6,11-14H,1-5,7-10H2,(H,23,26)
InChIKeyJFGSHFQXGUXJTE-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4769125) is N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JFGSHFQXGUXJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c20-19(21,22)16-6-15(14-1-2-14)25(24-16)10-17(26)23-18-7-11-3-12(8-18)5-13(4-11)9-18/h6,11-14H,1-5,7-10H2,(H,23,26).
What are the key properties of N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 367.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4769125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).