4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H13ClF3N3O — CID 4768527

IUPAC4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H13ClF3N3O/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChIKeyCLOADMDOBADAJB-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.76
Rot. Bonds2

About 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4768527) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4768527
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H13ClF3N3O/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChIKeyCLOADMDOBADAJB-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098
N-(1-adamantyl)-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768717
4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268103
N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 156577123
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768806
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98272047
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98332874
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
4-chloro-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769806
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124
4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267950
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4768527) is 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCCC2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is CLOADMDOBADAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).