N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H14FN3O2 — CID 64786290

IUPACN-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C13H14FN3O2/c1-7-12(8(2)17(3)16-7)13(19)15-11-5-4-9(18)6-10(11)14/h4-6,18H,1-3H3,(H,15,19)
InChIKeySPEJTBFIRRXPNN-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.13
Rot. Bonds2

About N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 64786290) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID64786290
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C13H14FN3O2/c1-7-12(8(2)17(3)16-7)13(19)15-11-5-4-9(18)6-10(11)14/h4-6,18H,1-3H3,(H,15,19)
InChIKeySPEJTBFIRRXPNN-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.13
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)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 64786290) is N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(O)cc1F.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is SPEJTBFIRRXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-12(8(2)17(3)16-7)13(19)15-11-5-4-9(18)6-10(11)14/h4-6,18H,1-3H3,(H,15,19).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 2.13, 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)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 64786290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).