N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide

C23H21ClF3N3O2 — CID 66644330

IUPACN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc2c1CCC2O
InChIInChI=1S/C23H21ClF3N3O2/c1-13(17-6-3-7-19-18(17)8-9-20(19)31)22(32)28-12-16-11-21(23(25,26)27)29-30(16)15-5-2-4-14(24)10-15/h2-7,10-11,13,20,31H,8-9,12H2,1H3,(H,28,32)
InChIKeyDXMWJHNSSDBQRV-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.94
Rot. Bonds5

About N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide

N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide (PubChem CID 66644330) has the molecular formula C23H21ClF3N3O2 and a molecular weight of 463.89 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide
PubChem CID66644330
Molecular FormulaC23H21ClF3N3O2
Molecular Weight463.89 g/mol
Exact Mass463.13
IUPAC NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc2c1CCC2O
InChIInChI=1S/C23H21ClF3N3O2/c1-13(17-6-3-7-19-18(17)8-9-20(19)31)22(32)28-12-16-11-21(23(25,26)27)29-30(16)15-5-2-4-14(24)10-15/h2-7,10-11,13,20,31H,8-9,12H2,1H3,(H,28,32)
InChIKeyDXMWJHNSSDBQRV-UHFFFAOYSA-N
XLogP4.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide (CID 66644330) is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc2c1CCC2O.
What is the InChIKey of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide?
The InChIKey is DXMWJHNSSDBQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O2/c1-13(17-6-3-7-19-18(17)8-9-20(19)31)22(32)28-12-16-11-21(23(25,26)27)29-30(16)15-5-2-4-14(24)10-15/h2-7,10-11,13,20,31H,8-9,12H2,1H3,(H,28,32).
What are the key properties of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide?
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide has a molecular weight of 463.89 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)propanamide is sourced from PubChem (CID 66644330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).