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

C19H26F3N3O — CID 4868032

IUPACN-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26F3N3O/c1-10(9-25-11(2)3-16(24-25)19(20,21)22)18(26)23-17-14-5-12-4-13(7-14)8-15(17)6-12/h3,10,12-15,17H,4-9H2,1-2H3,(H,23,26)
InChIKeySLQYWDONCVWEGU-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.79
Rot. Bonds4

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

N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4868032) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4868032
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26F3N3O/c1-10(9-25-11(2)3-16(24-25)19(20,21)22)18(26)23-17-14-5-12-4-13(7-14)8-15(17)6-12/h3,10,12-15,17H,4-9H2,1-2H3,(H,23,26)
InChIKeySLQYWDONCVWEGU-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4868032) is N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is SLQYWDONCVWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-10(9-25-11(2)3-16(24-25)19(20,21)22)18(26)23-17-14-5-12-4-13(7-14)8-15(17)6-12/h3,10,12-15,17H,4-9H2,1-2H3,(H,23,26).
What are the key properties of N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 369.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4868032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).