2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole

C16H11FN2O — CID 1482370

IUPAC2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole
SMILESFc1ccc(-n2cc3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C16H11FN2O/c17-12-5-7-13(8-6-12)19-9-11-10-20-15-4-2-1-3-14(15)16(11)18-19/h1-9H,10H2
InChIKeyWEUHUCWDRNQQJX-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.57
Rot. Bonds1

About 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole

2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole (PubChem CID 1482370) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole
PubChem CID1482370
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole
SMILESFc1ccc(-n2cc3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C16H11FN2O/c17-12-5-7-13(8-6-12)19-9-11-10-20-15-4-2-1-3-14(15)16(11)18-19/h1-9H,10H2
InChIKeyWEUHUCWDRNQQJX-UHFFFAOYSA-N
XLogP3.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole?
The IUPAC name of 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole (CID 1482370) is 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole?
The canonical SMILES for 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole is Fc1ccc(-n2cc3c(n2)-c2ccccc2OC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole?
The InChIKey is WEUHUCWDRNQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-12-5-7-13(8-6-12)19-9-11-10-20-15-4-2-1-3-14(15)16(11)18-19/h1-9H,10H2.
What are the key properties of 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole?
2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole has a molecular weight of 266.28 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4H-chromeno[4,3-c]pyrazole is sourced from PubChem (CID 1482370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).