N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H20F3N3O — CID 156577123

IUPACN-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCCCC2)c1C(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-20-12(14(15,16)17)11(9-18-20)13(21)19-10-7-5-3-2-4-6-8-10/h9-10H,2-8H2,1H3,(H,19,21)
InChIKeyRHNJGEDDNLQPPY-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.28
Rot. Bonds2

About N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 156577123) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID156577123
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCCCC2)c1C(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-20-12(14(15,16)17)11(9-18-20)13(21)19-10-7-5-3-2-4-6-8-10/h9-10H,2-8H2,1H3,(H,19,21)
InChIKeyRHNJGEDDNLQPPY-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95157228
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768527
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166342991
N-cyclohexyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617014
N-cycloheptyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617086
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457714
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 156577123) is N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCCCCCC2)c1C(F)(F)F.
What is the InChIKey of N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RHNJGEDDNLQPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20-12(14(15,16)17)11(9-18-20)13(21)19-10-7-5-3-2-4-6-8-10/h9-10H,2-8H2,1H3,(H,19,21).
What are the key properties of N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 156577123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).