5-(9H-fluoren-9-yl)-1H-pyrazole

C16H12N2 — CID 68627258

IUPAC5-(9H-fluoren-9-yl)-1H-pyrazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccn[nH]1
InChIInChI=1S/C16H12N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16(13)15-9-10-17-18-15/h1-10,16H,(H,17,18)
InChIKeyOVRSTIDFHQHVQV-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.57
Rot. Bonds1

About 5-(9H-fluoren-9-yl)-1H-pyrazole

5-(9H-fluoren-9-yl)-1H-pyrazole (PubChem CID 68627258) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(9H-fluoren-9-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(9H-fluoren-9-yl)-1H-pyrazole
PubChem CID68627258
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name5-(9H-fluoren-9-yl)-1H-pyrazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccn[nH]1
InChIInChI=1S/C16H12N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16(13)15-9-10-17-18-15/h1-10,16H,(H,17,18)
InChIKeyOVRSTIDFHQHVQV-UHFFFAOYSA-N
XLogP3.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-yl)-1H-pyrazole?
The IUPAC name of 5-(9H-fluoren-9-yl)-1H-pyrazole (CID 68627258) is 5-(9H-fluoren-9-yl)-1H-pyrazole.
What is the SMILES notation for 5-(9H-fluoren-9-yl)-1H-pyrazole?
The canonical SMILES for 5-(9H-fluoren-9-yl)-1H-pyrazole is c1ccc2c(c1)-c1ccccc1C2c1ccn[nH]1.
What is the InChIKey of 5-(9H-fluoren-9-yl)-1H-pyrazole?
The InChIKey is OVRSTIDFHQHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16(13)15-9-10-17-18-15/h1-10,16H,(H,17,18).
What are the key properties of 5-(9H-fluoren-9-yl)-1H-pyrazole?
5-(9H-fluoren-9-yl)-1H-pyrazole has a molecular weight of 232.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-yl)-1H-pyrazole is sourced from PubChem (CID 68627258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).