2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide

C18H22F3N3O — CID 69091652

IUPAC2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C)c1n[nH]c(C(C)C)c1C(Cc1ccc(F)c(F)c1F)C(N)=O
InChIInChI=1S/C18H22F3N3O/c1-8(2)16-13(17(9(3)4)24-23-16)11(18(22)25)7-10-5-6-12(19)15(21)14(10)20/h5-6,8-9,11H,7H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyPIKAHTDCXDRICL-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.89
Rot. Bonds6

About 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide

2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide (PubChem CID 69091652) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide
PubChem CID69091652
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C)c1n[nH]c(C(C)C)c1C(Cc1ccc(F)c(F)c1F)C(N)=O
InChIInChI=1S/C18H22F3N3O/c1-8(2)16-13(17(9(3)4)24-23-16)11(18(22)25)7-10-5-6-12(19)15(21)14(10)20/h5-6,8-9,11H,7H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyPIKAHTDCXDRICL-UHFFFAOYSA-N
XLogP3.89
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide 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 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide (CID 69091652) is 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide is CC(C)c1n[nH]c(C(C)C)c1C(Cc1ccc(F)c(F)c1F)C(N)=O.
What is the InChIKey of 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is PIKAHTDCXDRICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-8(2)16-13(17(9(3)4)24-23-16)11(18(22)25)7-10-5-6-12(19)15(21)14(10)20/h5-6,8-9,11H,7H2,1-4H3,(H2,22,25)(H,23,24).
What are the key properties of 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide?
2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 353.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 69091652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).