2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide

C20H16F3N3O3 — CID 59493097

IUPAC2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2cccc(CO)c2-3)cn1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)19(29)15-3-1-2-12(10-27)18(15)14-5-4-11(6-16(14)19)13-7-25-26(8-13)9-17(24)28/h1-8,27,29H,9-10H2,(H2,24,28)
InChIKeyDGRBKEVNDGZAMN-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide

2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide (PubChem CID 59493097) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide
PubChem CID59493097
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2cccc(CO)c2-3)cn1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)19(29)15-3-1-2-12(10-27)18(15)14-5-4-11(6-16(14)19)13-7-25-26(8-13)9-17(24)28/h1-8,27,29H,9-10H2,(H2,24,28)
InChIKeyDGRBKEVNDGZAMN-UHFFFAOYSA-N
XLogP2.31
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide (CID 59493097) is 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2cccc(CO)c2-3)cn1.
What is the InChIKey of 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is DGRBKEVNDGZAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-20(22,23)19(29)15-3-1-2-12(10-27)18(15)14-5-4-11(6-16(14)19)13-7-25-26(8-13)9-17(24)28/h1-8,27,29H,9-10H2,(H2,24,28).
What are the key properties of 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide?
2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 59493097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).