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

C13H14FN3O2 — CID 66610804

IUPAC4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2C)nc1C(N)=O
InChIInChI=1S/C13H14FN3O2/c1-3-19-11-7-17(16-12(11)13(15)18)10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H2,15,18)
InChIKeyKVTBADXSSZJMRS-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.82
Rot. Bonds4

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

4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 66610804) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
PubChem CID66610804
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2C)nc1C(N)=O
InChIInChI=1S/C13H14FN3O2/c1-3-19-11-7-17(16-12(11)13(15)18)10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H2,15,18)
InChIKeyKVTBADXSSZJMRS-UHFFFAOYSA-N
XLogP1.82
TPSA70.14 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (CID 66610804) is 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2C)nc1C(N)=O.
What is the InChIKey of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is KVTBADXSSZJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-3-19-11-7-17(16-12(11)13(15)18)10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H2,15,18).
What are the key properties of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 66610804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).