N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C15H22F3N3O — CID 48861592

IUPACN-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC1CCC(CNC(=O)c2cn(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O/c1-3-10-4-6-11(7-5-10)8-19-14(22)12-9-21(2)20-13(12)15(16,17)18/h9-11H,3-8H2,1-2H3,(H,19,22)
InChIKeyCTNLLQHSXGTBPA-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.39
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 48861592) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID48861592
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC1CCC(CNC(=O)c2cn(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O/c1-3-10-4-6-11(7-5-10)8-19-14(22)12-9-21(2)20-13(12)15(16,17)18/h9-11H,3-8H2,1-2H3,(H,19,22)
InChIKeyCTNLLQHSXGTBPA-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008797
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78890303
N-[2-(2-carbamoylhydrazinyl)-2-oxoethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159994113
N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008846
1-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 94467076
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 111460989
N-[[4-(diethylcarbamoyl)phenyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020417
1-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008847
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
N-[2-(4-tert-butylphenoxy)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020315
N-[2-(diethylamino)-2-phenylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008611

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 48861592) is N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCC1CCC(CNC(=O)c2cn(C)nc2C(F)(F)F)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CTNLLQHSXGTBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-3-10-4-6-11(7-5-10)8-19-14(22)12-9-21(2)20-13(12)15(16,17)18/h9-11H,3-8H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 48861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).