N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide

C11H11FN4O — CID 103789989

IUPACN-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H11FN4O/c1-7-9(6-16(2)15-7)11(17)14-8-3-4-10(12)13-5-8/h3-6H,1-2H3,(H,14,17)
InChIKeyMQSYLCFGGWVLCU-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.51
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide

N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103789989) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103789989
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H11FN4O/c1-7-9(6-16(2)15-7)11(17)14-8-3-4-10(12)13-5-8/h3-6H,1-2H3,(H,14,17)
InChIKeyMQSYLCFGGWVLCU-UHFFFAOYSA-N
XLogP1.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(6-fluoro-3-pyridinyl)-4-methylthiophene-3-carboxamide
CID 103789592
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide (CID 103789989) is N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(F)nc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is MQSYLCFGGWVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7-9(6-16(2)15-7)11(17)14-8-3-4-10(12)13-5-8/h3-6H,1-2H3,(H,14,17).
What are the key properties of N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103789989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).