N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H12FN3O2 — CID 64793499

IUPACN-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)cc2F)cnn1C
InChIInChI=1S/C12H12FN3O2/c1-7-9(6-14-16(7)2)12(18)15-11-4-3-8(17)5-10(11)13/h3-6,17H,1-2H3,(H,15,18)
InChIKeyMLBBTBQYPCQPOC-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.83
Rot. Bonds2

About N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 64793499) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID64793499
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)cc2F)cnn1C
InChIInChI=1S/C12H12FN3O2/c1-7-9(6-14-16(7)2)12(18)15-11-4-3-8(17)5-10(11)13/h3-6,17H,1-2H3,(H,15,18)
InChIKeyMLBBTBQYPCQPOC-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 64793499) is N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(O)cc2F)cnn1C.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is MLBBTBQYPCQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-9(6-14-16(7)2)12(18)15-11-4-3-8(17)5-10(11)13/h3-6,17H,1-2H3,(H,15,18).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 64793499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).