1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide

C10H8F2N4O — CID 64780820

IUPAC1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2c(F)cc(N)cc2F)c1
InChIInChI=1S/C10H8F2N4O/c11-7-1-6(13)2-8(12)9(7)16-4-5(3-15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyKPXXOKQBOVHJPO-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.83
Rot. Bonds2

About 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide

1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide (PubChem CID 64780820) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide
PubChem CID64780820
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2c(F)cc(N)cc2F)c1
InChIInChI=1S/C10H8F2N4O/c11-7-1-6(13)2-8(12)9(7)16-4-5(3-15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyKPXXOKQBOVHJPO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide (CID 64780820) is 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2c(F)cc(N)cc2F)c1.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide?
The InChIKey is KPXXOKQBOVHJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-7-1-6(13)2-8(12)9(7)16-4-5(3-15-16)10(14)17/h1-4H,13H2,(H2,14,17).
What are the key properties of 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide?
1-(4-amino-2,6-difluorophenyl)pyrazole-4-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 1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 64780820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).