3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one

C20H16F3N3O2 — CID 71540384

IUPAC3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1
InChIInChI=1S/C20H16F3N3O2/c1-25-12-15(10-24-25)14-8-6-13(7-9-14)11-26-17-5-3-2-4-16(17)19(28,18(26)27)20(21,22)23/h2-10,12,28H,11H2,1H3
InChIKeyQWNDWUZCYJENRY-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.38
Rot. Bonds3

About 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one

3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one (PubChem CID 71540384) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one
PubChem CID71540384
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1
InChIInChI=1S/C20H16F3N3O2/c1-25-12-15(10-24-25)14-8-6-13(7-9-14)11-26-17-5-3-2-4-16(17)19(28,18(26)27)20(21,22)23/h2-10,12,28H,11H2,1H3
InChIKeyQWNDWUZCYJENRY-UHFFFAOYSA-N
XLogP3.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one (CID 71540384) is 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one is Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1.
What is the InChIKey of 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one?
The InChIKey is QWNDWUZCYJENRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-25-12-15(10-24-25)14-8-6-13(7-9-14)11-26-17-5-3-2-4-16(17)19(28,18(26)27)20(21,22)23/h2-10,12,28H,11H2,1H3.
What are the key properties of 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one?
3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one has a molecular weight of 387.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 71540384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).