N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide

C29H37ClN4O2 — CID 4636907

IUPACN-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C29H37ClN4O2/c1-21(2)17-18-33(28(36)16-11-22-9-7-6-8-10-22)20-27(35)31-26-19-25(29(3,4)5)32-34(26)24-14-12-23(30)13-15-24/h6-10,12-15,19,21H,11,16-18,20H2,1-5H3,(H,31,35)
InChIKeyVXASVRKTRLJFOR-UHFFFAOYSA-N
MW509.09 g/mol
LogP6.27
Rot. Bonds10

About N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide

N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide (PubChem CID 4636907) has the molecular formula C29H37ClN4O2 and a molecular weight of 509.09 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide
PubChem CID4636907
Molecular FormulaC29H37ClN4O2
Molecular Weight509.09 g/mol
Exact Mass508.26
IUPAC NameN-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C29H37ClN4O2/c1-21(2)17-18-33(28(36)16-11-22-9-7-6-8-10-22)20-27(35)31-26-19-25(29(3,4)5)32-34(26)24-14-12-23(30)13-15-24/h6-10,12-15,19,21H,11,16-18,20H2,1-5H3,(H,31,35)
InChIKeyVXASVRKTRLJFOR-UHFFFAOYSA-N
XLogP6.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.09
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[benzylcarbamoyl(3-methylbutyl)amino]-N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]acetamide
CID 4297758
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42733620
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(3-methylbutyl)amino]acetamide
CID 3263821
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]acetamide
CID 4531392
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 4690574
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42734682
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylhexanamide
CID 42731921
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4009393
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 42732476
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 42733309
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42734676
N-benzyl-N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4556601

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide (CID 4636907) is N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide is CC(C)CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide?
The InChIKey is VXASVRKTRLJFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O2/c1-21(2)17-18-33(28(36)16-11-22-9-7-6-8-10-22)20-27(35)31-26-19-25(29(3,4)5)32-34(26)24-14-12-23(30)13-15-24/h6-10,12-15,19,21H,11,16-18,20H2,1-5H3,(H,31,35).
What are the key properties of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide?
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide has a molecular weight of 509.09 g/mol, XLogP of 6.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 4636907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).