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

C11H10FN3O — CID 86721229

IUPAC5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(N)=O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-15-10(9(6-14-15)11(13)16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16)
InChIKeyHZKGXTWOJZUJKR-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.33
Rot. Bonds2

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

5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 86721229) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID86721229
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(N)=O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-15-10(9(6-14-15)11(13)16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16)
InChIKeyHZKGXTWOJZUJKR-UHFFFAOYSA-N
XLogP1.33
TPSA60.91 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 86721229) is 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(N)=O)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is HZKGXTWOJZUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-10(9(6-14-15)11(13)16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16).
What are the key properties of 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86721229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).