3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

C10H8FN3O — CID 175702087

IUPAC3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C10H8FN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
InChIKeyKHVHHOUKMGBBDG-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.31
Rot. Bonds2

About 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 175702087) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID175702087
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C10H8FN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
InChIKeyKHVHHOUKMGBBDG-UHFFFAOYSA-N
XLogP1.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 175702087) is 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KHVHHOUKMGBBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14).
What are the key properties of 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 205.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 175702087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).