N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide

C25H37ClN4O3 — CID 42735445

IUPACN-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide
SMILESCOCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)C(C)(C)CCl
InChIInChI=1S/C25H37ClN4O3/c1-18-10-8-11-19(14-18)30-21(15-20(28-30)24(2,3)4)27-22(31)16-29(12-9-13-33-7)23(32)25(5,6)17-26/h8,10-11,14-15H,9,12-13,16-17H2,1-7H3,(H,27,31)
InChIKeyAIPPIWZCXZJUJE-UHFFFAOYSA-N
MW477.05 g/mol
LogP4.55
Rot. Bonds10

About N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide

N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide (PubChem CID 42735445) has the molecular formula C25H37ClN4O3 and a molecular weight of 477.05 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide
PubChem CID42735445
Molecular FormulaC25H37ClN4O3
Molecular Weight477.05 g/mol
Exact Mass476.26
IUPAC NameN-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide
SMILESCOCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)C(C)(C)CCl
InChIInChI=1S/C25H37ClN4O3/c1-18-10-8-11-19(14-18)30-21(15-20(28-30)24(2,3)4)27-22(31)16-29(12-9-13-33-7)23(32)25(5,6)17-26/h8,10-11,14-15H,9,12-13,16-17H2,1-7H3,(H,27,31)
InChIKeyAIPPIWZCXZJUJE-UHFFFAOYSA-N
XLogP4.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.05
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 42735432
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 4990794
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,6-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 4660155
ethyl 2-[[[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-(3-methoxypropyl)carbamoyl]amino]acetate
CID 42735890
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42735354
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3311141
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42735357
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42735871
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42735359
2-[acetyl(3-methoxypropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 42735042
N-butyl-N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]pentanamide
CID 42732351
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 3964180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide (CID 42735445) is N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide is COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)C(C)(C)CCl.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide?
The InChIKey is AIPPIWZCXZJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37ClN4O3/c1-18-10-8-11-19(14-18)30-21(15-20(28-30)24(2,3)4)27-22(31)16-29(12-9-13-33-7)23(32)25(5,6)17-26/h8,10-11,14-15H,9,12-13,16-17H2,1-7H3,(H,27,31).
What are the key properties of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide?
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide has a molecular weight of 477.05 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 42735445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).