N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

C13H14FN3O2 — CID 87073349

IUPACN-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCCONC(=O)c1ccn(-c2ccc(F)cc2C)n1
InChIInChI=1S/C13H14FN3O2/c1-3-19-16-13(18)11-6-7-17(15-11)12-5-4-10(14)8-9(12)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyINJXMBRSGOYNSU-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.00
Rot. Bonds4

About N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 87073349) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
PubChem CID87073349
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCCONC(=O)c1ccn(-c2ccc(F)cc2C)n1
InChIInChI=1S/C13H14FN3O2/c1-3-19-16-13(18)11-6-7-17(15-11)12-5-4-10(14)8-9(12)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyINJXMBRSGOYNSU-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (CID 87073349) is N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is CCONC(=O)c1ccn(-c2ccc(F)cc2C)n1.
What is the InChIKey of N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is INJXMBRSGOYNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-3-19-16-13(18)11-6-7-17(15-11)12-5-4-10(14)8-9(12)2/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 87073349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).