1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C13H14FN3O — CID 841336

IUPAC1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C13H14FN3O/c1-3-17-9(2)12(8-15-17)13(18)16-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyJNFICCAKIYCSEH-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.60
Rot. Bonds3

About 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 841336) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID841336
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C13H14FN3O/c1-3-17-9(2)12(8-15-17)13(18)16-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyJNFICCAKIYCSEH-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 841336) is 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccc(F)cc2)c1C.
What is the InChIKey of 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is JNFICCAKIYCSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-17-9(2)12(8-15-17)13(18)16-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 841336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).