2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide

C10H8ClFN4O — CID 79523158

IUPAC2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1-n1cc(Cl)c(N)n1
InChIInChI=1S/C10H8ClFN4O/c11-5-4-16(15-9(5)13)7-3-1-2-6(12)8(7)10(14)17/h1-4H,(H2,13,15)(H2,14,17)
InChIKeySPQUXQZBJMDFJS-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.35
Rot. Bonds2

About 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide

2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide (PubChem CID 79523158) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide
PubChem CID79523158
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1-n1cc(Cl)c(N)n1
InChIInChI=1S/C10H8ClFN4O/c11-5-4-16(15-9(5)13)7-3-1-2-6(12)8(7)10(14)17/h1-4H,(H2,13,15)(H2,14,17)
InChIKeySPQUXQZBJMDFJS-UHFFFAOYSA-N
XLogP1.35
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide
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CID 161042703
CID 161042703
1-[3-amino-1-(3-chloro-2-fluorophenyl)pyrazol-4-yl]-2-methylpropan-1-one
CID 90324455
2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide
CID 82703106
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-fluorobenzamide
CID 79522501
2-fluoro-6-hydroxybenzamide
CID 15219200
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
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2-(2-chlorophenyl)indazole-7-carboxamide
CID 44549373

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide?
The IUPAC name of 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide (CID 79523158) is 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide?
The canonical SMILES for 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide is NC(=O)c1c(F)cccc1-n1cc(Cl)c(N)n1.
What is the InChIKey of 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide?
The InChIKey is SPQUXQZBJMDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-5-4-16(15-9(5)13)7-3-1-2-6(12)8(7)10(14)17/h1-4H,(H2,13,15)(H2,14,17).
What are the key properties of 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide?
2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide has a molecular weight of 254.65 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide is sourced from PubChem (CID 79523158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).