2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide

C14H10F7N3O — CID 19534423

IUPAC2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cnn(C(C)C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1
InChIInChI=1S/C14H10F7N3O/c1-5-3-22-24(4-5)6(2)13(25)23-12-10(17)8(15)7(14(19,20)21)9(16)11(12)18/h3-4,6H,1-2H3,(H,23,25)
InChIKeyQXEVQSQGFWWJDS-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide

2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 19534423) has the molecular formula C14H10F7N3O and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
PubChem CID19534423
Molecular FormulaC14H10F7N3O
Molecular Weight369.24 g/mol
Exact Mass369.07
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cnn(C(C)C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1
InChIInChI=1S/C14H10F7N3O/c1-5-3-22-24(4-5)6(2)13(25)23-12-10(17)8(15)7(14(19,20)21)9(16)11(12)18/h3-4,6H,1-2H3,(H,23,25)
InChIKeyQXEVQSQGFWWJDS-UHFFFAOYSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.97
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-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19534387
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
3-(4-bromopyrazol-1-yl)-2-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19564680
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534492
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19402139
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534484
2-(4-methylpyrazol-1-yl)pentan-3-one
CID 64867990
dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
CID 19534359
3-(4-iodo-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19552070

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide (CID 19534423) is 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide is Cc1cnn(C(C)C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QXEVQSQGFWWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F7N3O/c1-5-3-22-24(4-5)6(2)13(25)23-12-10(17)8(15)7(14(19,20)21)9(16)11(12)18/h3-4,6H,1-2H3,(H,23,25).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 369.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 19534423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).