4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

C22H21F3N2O2 — CID 59492468

IUPAC4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)Cn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C22H21F3N2O2/c1-13(2)10-27-11-16(9-26-27)14-7-15(12-28)20-17-5-3-4-6-18(17)21(29,19(20)8-14)22(23,24)25/h3-9,11,13,28-29H,10,12H2,1-2H3
InChIKeyJYWQODRSAUHYDG-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.48
Rot. Bonds4

About 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492468) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492468
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)Cn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C22H21F3N2O2/c1-13(2)10-27-11-16(9-26-27)14-7-15(12-28)20-17-5-3-4-6-18(17)21(29,19(20)8-14)22(23,24)25/h3-9,11,13,28-29H,10,12H2,1-2H3
InChIKeyJYWQODRSAUHYDG-UHFFFAOYSA-N
XLogP4.48
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 59492468) is 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is CC(C)Cn1cc(-c2cc(CO)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1.
What is the InChIKey of 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is JYWQODRSAUHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-13(2)10-27-11-16(9-26-27)14-7-15(12-28)20-17-5-3-4-6-18(17)21(29,19(20)8-14)22(23,24)25/h3-9,11,13,28-29H,10,12H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 402.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).