2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

C20H17F3N2O2 — CID 59492745

IUPAC2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCCn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C20H17F3N2O2/c1-2-25-10-14(9-24-25)12-7-13(11-26)18-15-5-3-4-6-16(15)19(27,17(18)8-12)20(21,22)23/h3-10,26-27H,2,11H2,1H3
InChIKeyAWJWYRFYSCGZBT-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.84
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492745) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492745
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCCn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C20H17F3N2O2/c1-2-25-10-14(9-24-25)12-7-13(11-26)18-15-5-3-4-6-16(15)19(27,17(18)8-12)20(21,22)23/h3-10,26-27H,2,11H2,1H3
InChIKeyAWJWYRFYSCGZBT-UHFFFAOYSA-N
XLogP3.84
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492745) is 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is CCn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is AWJWYRFYSCGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-2-25-10-14(9-24-25)12-7-13(11-26)18-15-5-3-4-6-16(15)19(27,17(18)8-12)20(21,22)23/h3-10,26-27H,2,11H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 374.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).