(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite

C10H8FN3OS — CID 155112374

IUPAC(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
SMILESNc1ccc2c(c1)OCc1nn(SF)cc1-2
InChIInChI=1S/C10H8FN3OS/c11-16-14-4-8-7-2-1-6(12)3-10(7)15-5-9(8)13-14/h1-4H,5,12H2
InChIKeyIJJBZWOBHKKKRS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.41
Rot. Bonds1

About (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite

(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite (PubChem CID 155112374) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
PubChem CID155112374
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
SMILESNc1ccc2c(c1)OCc1nn(SF)cc1-2
InChIInChI=1S/C10H8FN3OS/c11-16-14-4-8-7-2-1-6(12)3-10(7)15-5-9(8)13-14/h1-4H,5,12H2
InChIKeyIJJBZWOBHKKKRS-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
Pyrazolyl chromane
CID 129814794
3-(Fluoromethoxy)-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]aniline
CID 145662084
[4-(4-Amino-2-methoxyphenyl)-3-methylpyrazol-1-yl] thiohypofluorite
CID 153616864
(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112470
4-Pyrazolylchroman
CID 129877764
[4-[2-Methoxy-4-(methylamino)phenyl]-3-methylpyrazol-1-yl] thiohypofluorite
CID 153616682
5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole
CID 54230227
2-(1H-indazol-4-yloxy)ethanamine
CID 54375527
3-Methoxy-4-(6-methylpyridazin-4-yl)aniline hydrochloride
CID 66859065
3-Methoxy-4-(6-methylpyridazin-4-yl)aniline
CID 66859066
3,4-Dihydrochromeno[4,3-d]pyrazole
CID 68646545

Frequently Asked Questions

What is the IUPAC name of (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
The IUPAC name of (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite (CID 155112374) is (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite.
What is the SMILES notation for (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
The canonical SMILES for (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite is Nc1ccc2c(c1)OCc1nn(SF)cc1-2.
What is the InChIKey of (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
The InChIKey is IJJBZWOBHKKKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-16-14-4-8-7-2-1-6(12)3-10(7)15-5-9(8)13-14/h1-4H,5,12H2.
What are the key properties of (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite has a molecular weight of 237.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite is sourced from PubChem (CID 155112374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).