[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone

C20H15F3N4O2 — CID 46951438

IUPAC[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N)c2ccccc21
InChIInChI=1S/C20H15F3N4O2/c1-26-11-16(14-4-2-3-5-17(14)26)18(28)15-10-25-27(19(15)24)12-6-8-13(9-7-12)29-20(21,22)23/h2-11H,24H2,1H3
InChIKeyDPIFKLPMIYWDRM-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.08
Rot. Bonds4

About [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone

[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone (PubChem CID 46951438) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone
PubChem CID46951438
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N)c2ccccc21
InChIInChI=1S/C20H15F3N4O2/c1-26-11-16(14-4-2-3-5-17(14)26)18(28)15-10-25-27(19(15)24)12-6-8-13(9-7-12)29-20(21,22)23/h2-11H,24H2,1H3
InChIKeyDPIFKLPMIYWDRM-UHFFFAOYSA-N
XLogP4.08
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone (CID 46951438) is [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N)c2ccccc21.
What is the InChIKey of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is DPIFKLPMIYWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-26-11-16(14-4-2-3-5-17(14)26)18(28)15-10-25-27(19(15)24)12-6-8-13(9-7-12)29-20(21,22)23/h2-11H,24H2,1H3.
What are the key properties of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone?
[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 400.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 46951438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).