1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide

C12H12FN3O — CID 841687

IUPAC1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O/c1-2-16-8-7-11(15-16)12(17)14-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3,(H,14,17)
InChIKeyBUTWKENUBRDBFK-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.29
Rot. Bonds3

About 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide

1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 841687) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID841687
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O/c1-2-16-8-7-11(15-16)12(17)14-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3,(H,14,17)
InChIKeyBUTWKENUBRDBFK-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide (CID 841687) is 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccccc2F)n1.
What is the InChIKey of 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is BUTWKENUBRDBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-16-8-7-11(15-16)12(17)14-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3,(H,14,17).
What are the key properties of 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 841687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).