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

C10H8F2N4O — CID 64780352

IUPAC1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2c(N)ccc(F)c2F)n1
InChIInChI=1S/C10H8F2N4O/c11-5-1-2-6(13)9(8(5)12)16-4-3-7(15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyLFOLDBCDDBTTFT-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.83
Rot. Bonds2

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

1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 64780352) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide
PubChem CID64780352
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2c(N)ccc(F)c2F)n1
InChIInChI=1S/C10H8F2N4O/c11-5-1-2-6(13)9(8(5)12)16-4-3-7(15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyLFOLDBCDDBTTFT-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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Related Compounds

1-(6-amino-2,3-difluorophenyl)pyrazole-4-carboxamide
CID 64782710
methyl 3-amino-2-(3-carbamoylpyrazol-1-yl)benzoate
CID 112579519
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780213
1-(4-carbamothioyl-2-fluorophenyl)pyrazole-3-carboxamide
CID 64781527
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
CID 80868519
1-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]pyrazole-3-carboxamide
CID 64780589
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
CID 64780351
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782681
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide (CID 64780352) is 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2c(N)ccc(F)c2F)n1.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is LFOLDBCDDBTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-5-1-2-6(13)9(8(5)12)16-4-3-7(15-16)10(14)17/h1-4H,13H2,(H2,14,17).
What are the key properties of 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide?
1-(6-amino-2,3-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 1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64780352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).