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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Related Compounds

2-[5-(4-fluoroanilino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162648598
2-[5-(2,4-difluoroanilino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162662758
1-(2,4-difluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2354676
2,2,2-trifluoro-N-(3-methyl-1-phenylpyrazol-5-yl)acetamide
CID 716369
3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide
CID 2313220
3-amino-6-methyl-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136025890
1,5-dimethyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1H-pyrazole-3-carboxamide
CID 25854750
5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 15836765
1-[(1-Tert-butyl-5-methylpyrazole-3-carbonyl)amino]-3-(2,4-difluorophenyl)urea
CID 2809453
5-Methyl-2-(2,3,4-trifluorophenyl)pyrazol-3-amine
CID 20297785
5-Amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 21794907
5-Amino-3-ethyl-1-(3-fluorophenyl)pyrazole-4-carboxamide
CID 53653306

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).