5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide

C10H8F2N4O — CID 82589389

IUPAC5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1cc(N)n(-c2c(F)cccc2F)n1
InChIInChI=1S/C10H8F2N4O/c11-5-2-1-3-6(12)9(5)16-8(13)4-7(15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyGCIZMHDCOOADGW-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.83
Rot. Bonds2

About 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide

5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 82589389) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide
PubChem CID82589389
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1cc(N)n(-c2c(F)cccc2F)n1
InChIInChI=1S/C10H8F2N4O/c11-5-2-1-3-6(12)9(5)16-8(13)4-7(15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyGCIZMHDCOOADGW-UHFFFAOYSA-N
XLogP0.83
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide (CID 82589389) is 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide is NC(=O)c1cc(N)n(-c2c(F)cccc2F)n1.
What is the InChIKey of 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is GCIZMHDCOOADGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-5-2-1-3-6(12)9(5)16-8(13)4-7(15-16)10(14)17/h1-4H,13H2,(H2,14,17).
What are the key properties of 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide?
5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 238.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 82589389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).