N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C19H26F3N3O — CID 19575136

IUPACN-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26F3N3O/c1-11-4-16(19(20,21)22)23-25(11)12(2)17(26)24(3)18-8-13-5-14(9-18)7-15(6-13)10-18/h4,12-15H,5-10H2,1-3H3
InChIKeyKRRFXBHCLSXPBG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.20
Rot. Bonds3

About N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19575136) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19575136
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26F3N3O/c1-11-4-16(19(20,21)22)23-25(11)12(2)17(26)24(3)18-8-13-5-14(9-18)7-15(6-13)10-18/h4,12-15H,5-10H2,1-3H3
InChIKeyKRRFXBHCLSXPBG-UHFFFAOYSA-N
XLogP4.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19575136) is N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)N(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is KRRFXBHCLSXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-11-4-16(19(20,21)22)23-25(11)12(2)17(26)24(3)18-8-13-5-14(9-18)7-15(6-13)10-18/h4,12-15H,5-10H2,1-3H3.
What are the key properties of N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 369.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19575136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).