4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

C21H19F3N2O — CID 59492690

IUPAC4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H19F3N2O/c1-19(2,3)26-12-13(11-25-26)14-8-6-10-17-18(14)15-7-4-5-9-16(15)20(17,27)21(22,23)24/h4-12,27H,1-3H3
InChIKeySRKXDSOUHQTTIR-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.08
Rot. Bonds1

About 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492690) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492690
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H19F3N2O/c1-19(2,3)26-12-13(11-25-26)14-8-6-10-17-18(14)15-7-4-5-9-16(15)20(17,27)21(22,23)24/h4-12,27H,1-3H3
InChIKeySRKXDSOUHQTTIR-UHFFFAOYSA-N
XLogP5.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492690) is 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is CC(C)(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is SRKXDSOUHQTTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-19(2,3)26-12-13(11-25-26)14-8-6-10-17-18(14)15-7-4-5-9-16(15)20(17,27)21(22,23)24/h4-12,27H,1-3H3.
What are the key properties of 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 372.39 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).