N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide

C12H7Cl2F2N5O — CID 170427186

IUPACN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C12H7Cl2F2N5O/c13-5-1-6(19-12(22)11(15)16)7-9(4-2-17-18-3-4)20-21-10(7)8(5)14/h1-3,11H,(H,17,18)(H,19,22)(H,20,21)
InChIKeyLFPKXPXJLCZGAN-UHFFFAOYSA-N
MW346.12 g/mol
LogP3.46
Rot. Bonds3

About N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide

N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide (PubChem CID 170427186) has the molecular formula C12H7Cl2F2N5O and a molecular weight of 346.12 g/mol. Its IUPAC name is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide
PubChem CID170427186
Molecular FormulaC12H7Cl2F2N5O
Molecular Weight346.12 g/mol
Exact Mass345.00
IUPAC NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C12H7Cl2F2N5O/c13-5-1-6(19-12(22)11(15)16)7-9(4-2-17-18-3-4)20-21-10(7)8(5)14/h1-3,11H,(H,17,18)(H,19,22)(H,20,21)
InChIKeyLFPKXPXJLCZGAN-UHFFFAOYSA-N
XLogP3.46
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 225
CID 170426951
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide (CID 170427186) is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12)C(F)F.
What is the InChIKey of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide?
The InChIKey is LFPKXPXJLCZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N5O/c13-5-1-6(19-12(22)11(15)16)7-9(4-2-17-18-3-4)20-21-10(7)8(5)14/h1-3,11H,(H,17,18)(H,19,22)(H,20,21).
What are the key properties of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide?
N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide has a molecular weight of 346.12 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170427186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).