7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole

C16H11ClN2S — CID 44570402

IUPAC7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole
SMILESClc1ccc2c(c1)SCc1cnn(-c3ccccc3)c1-2
InChIInChI=1S/C16H11ClN2S/c17-12-6-7-14-15(8-12)20-10-11-9-18-19(16(11)14)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyISWAYVOICLDYON-UHFFFAOYSA-N
MW298.80 g/mol
LogP4.80
Rot. Bonds1

About 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole

7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole (PubChem CID 44570402) has the molecular formula C16H11ClN2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole
PubChem CID44570402
Molecular FormulaC16H11ClN2S
Molecular Weight298.80 g/mol
Exact Mass298.03
IUPAC Name7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole
SMILESClc1ccc2c(c1)SCc1cnn(-c3ccccc3)c1-2
InChIInChI=1S/C16H11ClN2S/c17-12-6-7-14-15(8-12)20-10-11-9-18-19(16(11)14)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyISWAYVOICLDYON-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole?
The IUPAC name of 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole (CID 44570402) is 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole.
What is the SMILES notation for 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole?
The canonical SMILES for 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole is Clc1ccc2c(c1)SCc1cnn(-c3ccccc3)c1-2.
What is the InChIKey of 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole?
The InChIKey is ISWAYVOICLDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2S/c17-12-6-7-14-15(8-12)20-10-11-9-18-19(16(11)14)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole?
7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole has a molecular weight of 298.80 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole is sourced from PubChem (CID 44570402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).