N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H12FN3O2 — CID 64782621

IUPACN-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H12FN3O2/c1-6-11(7(2)16-15-6)12(18)14-8-3-4-10(17)9(13)5-8/h3-5,17H,1-2H3,(H,14,18)(H,15,16)
InChIKeyGIVIEYIOEHJZSX-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.12
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 64782621) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID64782621
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H12FN3O2/c1-6-11(7(2)16-15-6)12(18)14-8-3-4-10(17)9(13)5-8/h3-5,17H,1-2H3,(H,14,18)(H,15,16)
InChIKeyGIVIEYIOEHJZSX-UHFFFAOYSA-N
XLogP2.12
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 64782621) is N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GIVIEYIOEHJZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-6-11(7(2)16-15-6)12(18)14-8-3-4-10(17)9(13)5-8/h3-5,17H,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64782621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).