N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H20F3N3O — CID 4511702

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)C1CC2CCC1C2
InChIInChI=1S/C15H20F3N3O/c1-8(11-6-9-3-4-10(11)5-9)19-14(22)12-7-13(15(16,17)18)20-21(12)2/h7-11H,3-6H2,1-2H3,(H,19,22)
InChIKeyKFEUWXIJZMHHPO-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.99
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4511702) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4511702
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)C1CC2CCC1C2
InChIInChI=1S/C15H20F3N3O/c1-8(11-6-9-3-4-10(11)5-9)19-14(22)12-7-13(15(16,17)18)20-21(12)2/h7-11H,3-6H2,1-2H3,(H,19,22)
InChIKeyKFEUWXIJZMHHPO-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
1-ethyl-3-isobutyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70771440
N-cyclopentyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236040
Acetamide, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-(3-difluoromethyl-5-methylpyrazol-1-yl)-
CID 4098349
N-cyclohexyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4770701
N-{2-[(1S*,2S*,4S*)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50959463
5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136547209
N-cyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 1236010
N-(1-Adamantylmethyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4770268
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4772030
5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4511702) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KFEUWXIJZMHHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-8(11-6-9-3-4-10(11)5-9)19-14(22)12-7-13(15(16,17)18)20-21(12)2/h7-11H,3-6H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4511702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).