(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one

C19H15F3N4O2 — CID 2380072

IUPAC(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccccc2C(F)(F)F)c(N)c1[C@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C19H15F3N4O2/c1-10-15(18(28)11-6-2-4-8-13(11)24-17(18)27)16(23)26(25-10)14-9-5-3-7-12(14)19(20,21)22/h2-9,28H,23H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyKFLMBNMDBNLZJM-SFHVURJKSA-N
MW388.35 g/mol
LogP2.97
Rot. Bonds2

About (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one

(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one (PubChem CID 2380072) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one
PubChem CID2380072
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccccc2C(F)(F)F)c(N)c1[C@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C19H15F3N4O2/c1-10-15(18(28)11-6-2-4-8-13(11)24-17(18)27)16(23)26(25-10)14-9-5-3-7-12(14)19(20,21)22/h2-9,28H,23H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyKFLMBNMDBNLZJM-SFHVURJKSA-N
XLogP2.97
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one (CID 2380072) is (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one is Cc1nn(-c2ccccc2C(F)(F)F)c(N)c1[C@]1(O)C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The InChIKey is KFLMBNMDBNLZJM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-10-15(18(28)11-6-2-4-8-13(11)24-17(18)27)16(23)26(25-10)14-9-5-3-7-12(14)19(20,21)22/h2-9,28H,23H2,1H3,(H,24,27)/t18-/m0/s1.
What are the key properties of (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one has a molecular weight of 388.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2380072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).