N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

C23H24ClFN4O2 — CID 3221280

IUPACN-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1ccn[nH]1
InChIInChI=1S/C23H24ClFN4O2/c1-23(2,3)27-21(30)20(15-8-10-17(25)11-9-15)29(22(31)19-12-13-26-28-19)14-16-6-4-5-7-18(16)24/h4-13,20H,14H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyXWODVFCEYGZFSL-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.50
Rot. Bonds6

About N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 3221280) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID3221280
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC NameN-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1ccn[nH]1
InChIInChI=1S/C23H24ClFN4O2/c1-23(2,3)27-21(30)20(15-8-10-17(25)11-9-15)29(22(31)19-12-13-26-28-19)14-16-6-4-5-7-18(16)24/h4-13,20H,14H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyXWODVFCEYGZFSL-UHFFFAOYSA-N
XLogP4.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide 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 N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 3221280) is N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide is CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XWODVFCEYGZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-23(2,3)27-21(30)20(15-8-10-17(25)11-9-15)29(22(31)19-12-13-26-28-19)14-16-6-4-5-7-18(16)24/h4-13,20H,14H2,1-3H3,(H,26,28)(H,27,30).
What are the key properties of N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3221280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).