N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C18H20ClF3N4O2 — CID 78837959

IUPACN-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)CNC(=O)C(C)(C)C)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C18H20ClF3N4O2/c1-10-7-14(24-15(27)9-23-16(28)17(2,3)4)26(25-10)13-8-11(18(20,21)22)5-6-12(13)19/h5-8H,9H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyXOQORDXLTOBHFI-UHFFFAOYSA-N
MW416.83 g/mol
LogP3.95
Rot. Bonds4

About N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 78837959) has the molecular formula C18H20ClF3N4O2 and a molecular weight of 416.83 g/mol. Its IUPAC name is N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID78837959
Molecular FormulaC18H20ClF3N4O2
Molecular Weight416.83 g/mol
Exact Mass416.12
IUPAC NameN-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)CNC(=O)C(C)(C)C)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C18H20ClF3N4O2/c1-10-7-14(24-15(27)9-23-16(28)17(2,3)4)26(25-10)13-8-11(18(20,21)22)5-6-12(13)19/h5-8H,9H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyXOQORDXLTOBHFI-UHFFFAOYSA-N
XLogP3.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871616
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 112814363
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 55668477
3-acetamido-N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 55520113
methyl 5-acetyl-2-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 71685534
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-propan-2-ylsulfonylbenzamide
CID 112822149
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 55608304
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2328097
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 167868868
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 2330110
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55519908

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 78837959) is N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is Cc1cc(NC(=O)CNC(=O)C(C)(C)C)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is XOQORDXLTOBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O2/c1-10-7-14(24-15(27)9-23-16(28)17(2,3)4)26(25-10)13-8-11(18(20,21)22)5-6-12(13)19/h5-8H,9H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 416.83 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 78837959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).