4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide

C12H8ClF4N3O — CID 19266677

IUPAC4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2c(F)c(F)cc(F)c2F)nn1C
InChIInChI=1S/C12H8ClF4N3O/c1-4-7(13)10(19-20(4)2)12(21)18-11-8(16)5(14)3-6(15)9(11)17/h3H,1-2H3,(H,18,21)
InChIKeyOKYQKEBXEUWGJJ-UHFFFAOYSA-N
MW321.66 g/mol
LogP3.19
Rot. Bonds2

About 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide (PubChem CID 19266677) has the molecular formula C12H8ClF4N3O and a molecular weight of 321.66 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
PubChem CID19266677
Molecular FormulaC12H8ClF4N3O
Molecular Weight321.66 g/mol
Exact Mass321.03
IUPAC Name4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2c(F)c(F)cc(F)c2F)nn1C
InChIInChI=1S/C12H8ClF4N3O/c1-4-7(13)10(19-20(4)2)12(21)18-11-8(16)5(14)3-6(15)9(11)17/h3H,1-2H3,(H,18,21)
InChIKeyOKYQKEBXEUWGJJ-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.66
LogP ≤ 53.19
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

4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266964
4-bromo-1-methyl-N-(2,3,5,6-tetrafluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268135
4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267950
4-chloro-1,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 39853788
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
methyl 4-[(2-chloro-4,5-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748394
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide (CID 19266677) is 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)Nc2c(F)c(F)cc(F)c2F)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide?
The InChIKey is OKYQKEBXEUWGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3O/c1-4-7(13)10(19-20(4)2)12(21)18-11-8(16)5(14)3-6(15)9(11)17/h3H,1-2H3,(H,18,21).
What are the key properties of 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide has a molecular weight of 321.66 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19266677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).