2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide

C13H10ClF4N3O — CID 19533585

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H10ClF4N3O/c1-5-7(14)4-19-21(5)6(2)13(22)20-12-10(17)8(15)3-9(16)11(12)18/h3-4,6H,1-2H3,(H,20,22)
InChIKeyNCBQWSKCZUVVIG-UHFFFAOYSA-N
MW335.69 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide (PubChem CID 19533585) has the molecular formula C13H10ClF4N3O and a molecular weight of 335.69 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
PubChem CID19533585
Molecular FormulaC13H10ClF4N3O
Molecular Weight335.69 g/mol
Exact Mass335.04
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H10ClF4N3O/c1-5-7(14)4-19-21(5)6(2)13(22)20-12-10(17)8(15)3-9(16)11(12)18/h3-4,6H,1-2H3,(H,20,22)
InChIKeyNCBQWSKCZUVVIG-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769387
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19533698
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
CID 7026044
2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19533646
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533688
2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 25248320
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19538689
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533594
(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 40640805
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533752
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide (CID 19533585) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide is Cc1c(Cl)cnn1C(C)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The InChIKey is NCBQWSKCZUVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3O/c1-5-7(14)4-19-21(5)6(2)13(22)20-12-10(17)8(15)3-9(16)11(12)18/h3-4,6H,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide has a molecular weight of 335.69 g/mol, XLogP of 3.60, 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-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide is sourced from PubChem (CID 19533585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).