[3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite

C10H6F3N5O3 — CID 140655843

IUPAC[3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite
SMILESN#Cc1c(Nc2ccc(OF)c(OF)c2OF)n[nH]c1N
InChIInChI=1S/C10H6F3N5O3/c11-19-6-2-1-5(7(20-12)8(6)21-13)16-10-4(3-14)9(15)17-18-10/h1-2H,(H4,15,16,17,18)
InChIKeyHHMRKUVBSGCUIJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.40
Rot. Bonds5

About [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite

[3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite (PubChem CID 140655843) has the molecular formula C10H6F3N5O3 and a molecular weight of 301.18 g/mol. Its IUPAC name is [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite.

Molecular Properties

Compound Name[3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite
PubChem CID140655843
Molecular FormulaC10H6F3N5O3
Molecular Weight301.18 g/mol
Exact Mass301.04
IUPAC Name[3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite
SMILESN#Cc1c(Nc2ccc(OF)c(OF)c2OF)n[nH]c1N
InChIInChI=1S/C10H6F3N5O3/c11-19-6-2-1-5(7(20-12)8(6)21-13)16-10-4(3-14)9(15)17-18-10/h1-2H,(H4,15,16,17,18)
InChIKeyHHMRKUVBSGCUIJ-UHFFFAOYSA-N
XLogP2.40
TPSA118.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite?
The IUPAC name of [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite (CID 140655843) is [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite.
What is the SMILES notation for [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite?
The canonical SMILES for [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite is N#Cc1c(Nc2ccc(OF)c(OF)c2OF)n[nH]c1N.
What is the InChIKey of [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite?
The InChIKey is HHMRKUVBSGCUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5O3/c11-19-6-2-1-5(7(20-12)8(6)21-13)16-10-4(3-14)9(15)17-18-10/h1-2H,(H4,15,16,17,18).
What are the key properties of [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite?
[3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite has a molecular weight of 301.18 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-amino-4-cyano-1H-pyrazol-3-yl)amino]-2,6-difluorooxyphenyl] hypofluorite is sourced from PubChem (CID 140655843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).