N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C15H19ClF3N3O — CID 4769626

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)C1CC2CCC1C2
InChIInChI=1S/C15H19ClF3N3O/c1-7(10-6-8-3-4-9(10)5-8)20-14(23)12-11(16)13(15(17,18)19)22(2)21-12/h7-10H,3-6H2,1-2H3,(H,20,23)
InChIKeyHDIFYWAWPSUVLJ-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.65
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769626) has the molecular formula C15H19ClF3N3O and a molecular weight of 349.78 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4769626
Molecular FormulaC15H19ClF3N3O
Molecular Weight349.78 g/mol
Exact Mass349.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)C1CC2CCC1C2
InChIInChI=1S/C15H19ClF3N3O/c1-7(10-6-8-3-4-9(10)5-8)20-14(23)12-11(16)13(15(17,18)19)22(2)21-12/h7-10H,3-6H2,1-2H3,(H,20,23)
InChIKeyHDIFYWAWPSUVLJ-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 844562
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769854
4-chloro-N-cycloheptyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769864
4-chloro-N-cyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769865
4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4771106
N-(1-Adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 17020537
N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4511702
N-(1-adamantyl)-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768717

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4769626) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CC(NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is HDIFYWAWPSUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N3O/c1-7(10-6-8-3-4-9(10)5-8)20-14(23)12-11(16)13(15(17,18)19)22(2)21-12/h7-10H,3-6H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.65, 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]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).