3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide

C20H16F3N3O2 — CID 59493073

IUPAC3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)15-6-2-1-4-14(15)18-13(5-3-7-16(18)19)12-10-25-26(11-12)9-8-17(24)27/h1-7,10-11,28H,8-9H2,(H2,24,27)
InChIKeyZLHLOVRVURSBDP-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.20
Rot. Bonds4

About 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide

3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide (PubChem CID 59493073) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
PubChem CID59493073
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)15-6-2-1-4-14(15)18-13(5-3-7-16(18)19)12-10-25-26(11-12)9-8-17(24)27/h1-7,10-11,28H,8-9H2,(H2,24,27)
InChIKeyZLHLOVRVURSBDP-UHFFFAOYSA-N
XLogP3.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide (CID 59493073) is 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide is NC(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide?
The InChIKey is ZLHLOVRVURSBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)15-6-2-1-4-14(15)18-13(5-3-7-16(18)19)12-10-25-26(11-12)9-8-17(24)27/h1-7,10-11,28H,8-9H2,(H2,24,27).
What are the key properties of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide?
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide has a molecular weight of 387.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 59493073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).