2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide

C14H19ClF3N3O — CID 19523302

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H19ClF3N3O/c1-9-12(15)13(14(16,17)18)20-21(9)8-11(22)19-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,19,22)
InChIKeyLCVSLKDPCLLEPK-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.70
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide (PubChem CID 19523302) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
PubChem CID19523302
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H19ClF3N3O/c1-9-12(15)13(14(16,17)18)20-21(9)8-11(22)19-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,19,22)
InChIKeyLCVSLKDPCLLEPK-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17020930
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide
CID 19523531
N-cycloheptyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527311
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl chloride
CID 19620719
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 19523534
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19543732
2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide
CID 19588234
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide
CID 19523480
N-(2-adamantyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527082
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 744105
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 143061684
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19582300

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide (CID 19523302) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide?
The InChIKey is LCVSLKDPCLLEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-9-12(15)13(14(16,17)18)20-21(9)8-11(22)19-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,19,22).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide has a molecular weight of 337.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 19523302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).