5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide

C11H10FN3O — CID 18923864

IUPAC5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccccc2)c1F
InChIInChI=1S/C11H10FN3O/c1-15-10(12)9(7-13-15)11(16)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16)
InChIKeyXKOYOALCZBLAEQ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.81
Rot. Bonds2

About 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide

5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide (PubChem CID 18923864) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide
PubChem CID18923864
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccccc2)c1F
InChIInChI=1S/C11H10FN3O/c1-15-10(12)9(7-13-15)11(16)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16)
InChIKeyXKOYOALCZBLAEQ-UHFFFAOYSA-N
XLogP1.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide (CID 18923864) is 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccccc2)c1F.
What is the InChIKey of 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is XKOYOALCZBLAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-10(12)9(7-13-15)11(16)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16).
What are the key properties of 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide?
5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18923864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).